CAS 2901-44-2

Chemistry, 1 End Use API, 8 Related Intermediates

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Also known as: 2901-44-2, Trans-4-acetamidocyclohexaneacetic acid, Nsc175383, 2-((1r,4r)-4-acetamidocyclohexyl)acetic acid, 2-[(1r,4r)-4-acetamidocyclohexyl]acetic acid, 90978-94-2

Molecular Formula

C₁₀H₁₇NO₃

Molecular Weight

199.25 g/mol

InChI Key

WFVBDJQHTIBXHZ-UHFFFAOYSA-N

1 2D Structure

CAS 2901-44-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(4-acetamidocyclohexyl)acetic acid

2.1.2 InChI

InChI=1S/C10H17NO3/c1-7(12)11-9-4-2-8(3-5-9)6-10(13)14/h8-9H,2-6H2,1H3,(H,11,12)(H,13,14)

2.1.3 InChI Key

WFVBDJQHTIBXHZ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(=O)NC1CCC(CC1)CC(=O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 2901-44-2

2. Trans-4-acetamidocyclohexaneacetic Acid

3. Nsc175383

4. 2-((1r,4r)-4-acetamidocyclohexyl)acetic Acid

5. 2-[(1r,4r)-4-acetamidocyclohexyl]acetic Acid

6. 90978-94-2

7. 4-(acetylamino)cyclohexaneacetic Acid

8. Starbld0042284

9. Schembl6417467

10. Schembl6417470

11. Schembl15788648

12. Schembl20672220

13. Dtxsid50951619

14. Caa90144

15. Cs-m1345

16. Nsc175382

17. Akos040814894

18. Nsc-175382

19. Nsc-175383

20. Ft-0726265

21. 2-[(1s,4s)-4-acetamidocyclohexyl]acetic Acid

22. D77418

23. Trans-2-(4-(acetylamino)cyclohexyl)acetic Acid

24. En300-8620244

25. En300-8637221

26. En300-23330755

27. {4-[(1-hydroxyethylidene)amino]cyclohexyl}acetic Acid

28. F2147-8806

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₇NO₃
Molecular Weight	199.25 g/mol
XLogP3	0.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	66.4
Heavy Atom Count	14
Formal Charge	0
Complexity	219
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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trans-2-(4-acetamidocyclohexyl)acetic acid

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CAS Number

2901-44-2

End Use API

Porton Pharma Solutions Ltd. was founded in 2005, & the company's stock was successfully listed in Shenzh...

Porton Pharma Solutions Ltd. was founded in 2005, & the company's stock was successfully listed in Shenzhen Stock Exchange in 2014. Our R&D, manufacturing & operation facilities are located in China, Slovenia, the US, Belgium, Switzerland, Denmark, with more than 6000 employees worldwide. Porton leads the way with its excellent CDMO services, but also supplies APIs & intermediates for the treatment of critical diseases such as HIV/AIDS, diabetes, cancer, & influenza. Our Process Technology Centers & WHO/USFDA/EMA/PDMA/NMPA-inspected Facilities feature state-of-the-art equipment, highly flexible cGMP-compliant production assets.

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