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CAS 20859-02-3
Also known as: 20859-02-3, 3-methyl-l-valine, (2s)-2-amino-3,3-dimethylbutanoic acid, H-tle-oh, (s)-2-amino-3,3-dimethylbutanoic acid, Valine, 3-methyl-
Molecular Formula
C6H13NO2
Molecular Weight
131.17  g/mol
InChI Key
NPDBDJFLKKQMCM-SCSAIBSYSA-N
FDA UNII
1E6RFC9IVP

1 2D Structure

CAS 20859-02-3

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2S)-2-amino-3,3-dimethylbutanoic acid
2.1.2 InChI
InChI=1S/C6H13NO2/c1-6(2,3)4(7)5(8)9/h4H,7H2,1-3H3,(H,8,9)/t4-/m1/s1
2.1.3 InChI Key
NPDBDJFLKKQMCM-SCSAIBSYSA-N
2.1.4 Canonical SMILES
CC(C)(C)C(C(=O)O)N
2.1.5 Isomeric SMILES
CC(C)(C)[C@@H](C(=O)O)N
2.2 Other Identifiers
2.2.1 UNII
1E6RFC9IVP
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 2-adba

2. 2-amino-3,3-dimethylbutanoic Acid

3. 2-amino-3,3-dimethylbutanoic Acid, (dl)-isomer

4. 2-amino-3,3-dimethylbutanoic Acid, (l)-isomer

5. 2-amino-3,3-dimethylbutyric Acid

6. D-tert-leucine

7. Tert-leucine

2.3.2 Depositor-Supplied Synonyms

1. 20859-02-3

2. 3-methyl-l-valine

3. (2s)-2-amino-3,3-dimethylbutanoic Acid

4. H-tle-oh

5. (s)-2-amino-3,3-dimethylbutanoic Acid

6. Valine, 3-methyl-

7. L-valine, 3-methyl-

8. 471-50-1

9. L-tert Leucine

10. (2s)-2-amino-3,3-dimethyl-butanoic Acid

11. (s)-tert-butylglycine

12. 1e6rfc9ivp

13. Mfcd00064218

14. 3-methyl-l-valin

15. T-butylglycine

16. (l)-tert-leucine

17. L-2-amino-3,3-dimethylbutanoic Acid

18. (s)-2-amino-3,3-dimethylbutyric Acid

19. 2-amino-3,3-dimethylbutanoic Acid #

20. Nsc-203785

21. L-tertiary Leucine

22. Tert-leu-oh

23. L-tert-butylglycine

24. Racemic Tert-leucine

25. T-leucine

26. L-t-butylglycine

27. Racemic Tert-butylglycine

28. L-tert-leucine, 99%

29. Unii-1e6rfc9ivp

30. (s)-tert-leucine

31. H-l-tle-oh

32. Schembl6433

33. Dtxsid001017204

34. Zinc164935

35. Act00048

36. Cs-d0917

37. Str07808

38. Akos015841183

39. Ac-1454

40. Ac-4269

41. Nsc 203785

42. 2(s)-amino-3,3-dimethyl-butyric Acid

43. Hy-59140

44. Am20090175

45. L0147

46. L-tert-leucine, Puriss., >=99.0% (nt)

47. L-2720

48. 859t023

49. A827162

50. J-500944

51. Q2405866

52. Z1270387253

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 131.17 g/mol
Molecular Formula C6H13NO2
XLogP3-1.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass131.094628657 g/mol
Monoisotopic Mass131.094628657 g/mol
Topological Polar Surface Area63.3 Ų
Heavy Atom Count9
Formal Charge0
Complexity115
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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OctaneX Labs is a leading intermediates and Active Pharmaceutical Ingredients (API) manufacturing company...
OctaneX Labs is a leading intermediates and Active Pharmaceutical Ingredients (API) manufacturing company specializing in the development of innovative processes for the synthesis of a wide range of products. We also undertake custom pharmaceutical services and contract Research Synthesis. We are commited to create better quality of life by being at the forefront of research, manufacturing and marketing of high quality API'S.As a growing organization, we are aware that we can’t achieve our goals singly. We collaborate and work in unison with a large number of reputed and like-minded partners
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198904-85-7
Atazanavir
OctaneX Labs is a leading intermediates and Active Pharmaceutical Ingredients (API) manufacturing company...
OctaneX Labs is a leading intermediates and Active Pharmaceutical Ingredients (API) manufacturing company specializing in the development of innovative processes for the synthesis of a wide range of products. We also undertake custom pharmaceutical services and contract Research Synthesis. We are commited to create better quality of life by being at the forefront of research, manufacturing and marketing of high quality API'S.As a growing organization, we are aware that we can’t achieve our goals singly. We collaborate and work in unison with a large number of reputed and like-minded partners
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870-46-2
Atazanavir
Sanpra Synthesis strongly believes that with its expertise and innovative pharmaceutical business backgro...
Sanpra Synthesis strongly believes that with its expertise and innovative pharmaceutical business background, it is aptly positioned for APIs and intermediates manufacturing and outsourcing for the global market. We also undertake custom synthesis and contract manufacturing. Setting up multiple c GMP-manufacturing facility and world-class R&D center located in Vizag APSEZ De-notified area with well connected to road, rail, and air enabling cargo movement to the nearest transport facility in commercial production from January 2020.
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1122-91-4
Atazanavir
Established in the early 90’s SCL offers a wide range of Active Pharmaceutical Ingredients and Intermed...
Established in the early 90’s SCL offers a wide range of Active Pharmaceutical Ingredients and Intermediates to its customers worldwide. SCL’s products are exported to Europe, Japan, Russia, South and Central America, ASEAN, W. Asia, MENA regions. SCL’s manufacturing facilities have been built to comply with EU GMP and U.S. FDA norms, and the API facility has been successfully certified as EU GMP compliant five times by the European Authorities. Latest certification was carried out by German Health Authority.
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1292296-09-3
Atazanavir
SGMR Pharmaceuticals is a renowned Loan License manufacturer of API’s and Intermediates. They speciali...
SGMR Pharmaceuticals is a renowned Loan License manufacturer of API’s and Intermediates. They specialize in the product manufacturing and export of Bulk drugs Products and Intermediates. The customers and buyers include reputed pharmaceutical companies of the US, Europe, Middle-East, Africa, Latin America, and the CIS region, Asian Countries. Starting from a single product line, SGMR Pharmaceuticals Pvt Ltd has emerged as a diversified multi-product company, with interests in the production of API Products and API Intermediates
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(2R,3S)-N-(tert- butoxycarbonyl)-3-amino-1,2- epoxy-4-p...

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98760-08-8
Atazanavir
Founded in 1983, ST Pharm (formerly known as Samchully Pharmaceutical) has been offering excellent custom...
Founded in 1983, ST Pharm (formerly known as Samchully Pharmaceutical) has been offering excellent custom manufacturing services of APIs and their intermediates to meet clients’ high expectation for their use in pharmaceutical development and be compliant to cGMP requirements. Our reliability in service, which is well-proven through decades of business relationship with many big pharmas and biotech clients, is the essence of our strength along with our expertise in process development and scale-up optimization.
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198904-85-7
Atazanavir
SURVIVAL is one of the leading manufacturers in the field of Fine and Specialty Chemicals actively involv...
SURVIVAL is one of the leading manufacturers in the field of Fine and Specialty Chemicals actively involved in CRAMS, Custom Synthesis & Bulk Production offering new generation products in complex chemistry to Pharmaceutical, Agrochemical and Petrochemical companies. It has a very strong R&D set up & we can assure fast turn around in Synthsizing molecules. With our deep understanding of science and chemistry, we are into functional chemistry, custom synthesis and contract manufacturing catering to many reputed Indian and overseas customers.
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198904-85-7
Atazanavir
SURVIVAL is one of the leading manufacturers in the field of Fine and Specialty Chemicals actively involv...
SURVIVAL is one of the leading manufacturers in the field of Fine and Specialty Chemicals actively involved in CRAMS, Custom Synthesis & Bulk Production offering new generation products in complex chemistry to Pharmaceutical, Agrochemical and Petrochemical companies. It has a very strong R&D set up & we can assure fast turn around in Synthsizing molecules. With our deep understanding of science and chemistry, we are into functional chemistry, custom synthesis and contract manufacturing catering to many reputed Indian and overseas customers.
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160233-25-0
Atazanavir
Zenfold Sustainable Technologies (ZST) is a specialty and fine chemicals company, established in 2021. Ou...
Zenfold Sustainable Technologies (ZST) is a specialty and fine chemicals company, established in 2021. Our advanced technological capabilities and state-of-the-art infrastructure allow us to provide the entire gamut of services involved in manufacturing and contract research — from process development to scaling up. We offer a wide range of APIs and intermediates to customers across industries. We differentiate ourselves in the market with our unique hybridized approach to manufacturing, built on our three core technological platforms: Synthetic Biology, Biotransformation, and Green Chemistry.
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