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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

CAS 102849-49-0
1 2D Structure

CAS 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 Weight 171.19 g/mol
Molecular Formula C8H13NO3
XLogP30.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass171.08954328 g/mol
Monoisotopic Mass171.08954328 g/mol
Topological Polar Surface Area57.6 Ų
Heavy Atom Count12
Formal Charge0
Complexity203
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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