CAS 102849-49-0

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21 Related Intermediates

Chemistry

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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

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 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