102849-49-0

Chemistry, 1 End Use API, 17 Related Intermediates

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Also known as: 102849-49-0, (s)-2-(2-oxopyrrolidin-1-yl)butanoic acid, Levetiracetam acid, (-)-, 2-(2-oxopyrrolidin-1-yl)butanoic acid, (2s)-, 2-pyrrolidinone-n-butyric acid, Ucb-l 057

Molecular Formula

C₈H₁₃NO₃

Molecular Weight

171.19 g/mol

InChI Key

IODGAONBTQRGGG-LURJTMIESA-N

FDA UNII

S19061909R

1 2D Structure

102849-49-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S)-2-(2-oxopyrrolidin-1-yl)butanoic acid

2.1.2 InChI

InChI=1S/C8H13NO3/c1-2-6(8(11)12)9-5-3-4-7(9)10/h6H,2-5H2,1H3,(H,11,12)/t6-/m0/s1

2.1.3 InChI Key

IODGAONBTQRGGG-LURJTMIESA-N

2.1.4 Canonical SMILES

CCC(C(=O)O)N1CCCC1=O

2.1.5 Isomeric SMILES

CC[C@@H](C(=O)O)N1CCCC1=O

2.2 Other Identifiers

2.2.1 UNII

S19061909R

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 102849-49-0

2. (s)-2-(2-oxopyrrolidin-1-yl)butanoic Acid

3. Levetiracetam Acid, (-)-

4. 2-(2-oxopyrrolidin-1-yl)butanoic Acid, (2s)-

5. 2-pyrrolidinone-n-butyric Acid

6. Ucb-l 057

7. S19061909r

8. (s)-2-(2-oxo-pyrrolidin-1-yl)-butyric Acid

9. (s)-alpha-ethyl-2-oxo-1-pyrrolidineacetic Acid

10. (s)-levetiracetam Acid

11. 1-pyrrolidineacetic Acid, Alpha-ethyl-2-oxo-, (alphas)-

12. (2s)-2-(2-oxopyrrolidin-1-yl)butanoicacid

13. Unii-s19061909r

14. Chembl1287

15. Levetiracetam Impurity, Levetiracetam Acid- [usp]

16. Schembl1877216

17. Dtxsid00145541

18. Chebi:143418

19. Mfcd08272027

20. Zinc13559003

21. Akos006285768

22. Akos015841982

23. Ac-1460

24. (2s)-2-(2-oxopyrrolizino)butyric Acid

25. As-64846

26. (s)-2-(2-oxopyrrolidin-1-yl)butanoicacid

27. Db-005503

28. (s)-2-(2-oxopyrrolidin-1-yl) Butyric Acid

29. (2s)-2-(2-oxo-1-pyrrolidinyl)butanoic Acid

30. (s)-alpha-ethyl-2-oxo Pyrrolidine Acetic Acid

31. 833o723

32. 849o490

33. A800630

34. J-501010

35. Q27288442

36. (s)-2-(2-oxopyrrolidin-1-yl)butanoic Acid, C~8~h~13~no~3~

37. 1-pyrrolidineacetic Acid, .alpha.-ethyl-2-oxo-, (.alpha.s)-

38. Levetiracetam Impurity, Levetiracetam Acid- [usp Impurity]

2.4 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₈H₁₃NO₃
Molecular Weight	171.19 g/mol
XLogP3	0.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	171.08954328 g/mol
Monoisotopic Mass	171.08954328 g/mol
Topological Polar Surface Area	57.6 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	203
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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CAS Number

102849-49-0

Intermediate Name

(2S)-2-(2-Oxopyrrolidin-1-yl)butano...

About the Company

LUNA Chemicals Co.,Ltd. markets and manufactures world-class quality Active Pharmaceutical Ingredients an...

LUNA Chemicals Co.,Ltd. markets and manufactures world-class quality Active Pharmaceutical Ingredients and intermediate chemicals for generic pharmaceutical companies. Our Development Team focus strategically on the core therapeutic areas: cardiovascular, anti-depressant, allergic, healthcare and plant extraction. We provide technical support and efficient regulatory documentation for manufacturers, intellectual property(IP) was always carefully considered as well. We also provide excellent outsourcing services to customers and laboratory support.

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