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Technical details about 102849-49-0, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. 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

2D Structure

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
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