Acetylalanine

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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: 97-69-8, Ac-ala-oh, N-acetylalanine, Acetyl-l-alanine, Acetylalanine, L-alanine, n-acetyl-

Molecular Formula

C₅H₉NO₃

Molecular Weight

131.13 g/mol

InChI Key

KTHDTJVBEPMMGL-VKHMYHEASA-N

FDA UNII

26C4VY6Z0M

N-Acetyl-L-alanine is a metabolite found in or produced by Saccharomyces cerevisiae.

1 2D Structure

Acetylalanine

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S)-2-acetamidopropanoic acid

2.1.2 InChI

InChI=1S/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)/t3-/m0/s1

2.1.3 InChI Key

KTHDTJVBEPMMGL-VKHMYHEASA-N

2.1.4 Canonical SMILES

CC(C(=O)O)NC(=O)C

2.1.5 Isomeric SMILES

C[C@@H](C(=O)O)NC(=O)C

2.2 Other Identifiers

2.2.1 UNII

26C4VY6Z0M

2.3 Synonyms

2.3.1 MeSH Synonyms

1. N-acetylalanine

2.3.2 Depositor-Supplied Synonyms

1. 97-69-8

2. Ac-ala-oh

3. N-acetylalanine

4. Acetyl-l-alanine

5. Acetylalanine

6. L-alanine, N-acetyl-

7. N-acetyl-s-alanine

8. (2s)-2-acetamidopropanoic Acid

9. 2-acetamidopropionic Acid

10. L-n-acetylalanine

11. Alanine, N-acetyl-, L-

12. (s)-2-acetamidopropanoic Acid

13. S-(-)-n-acetylalanine

14. N-acetyl-l-alpha-alanine

15. 26c4vy6z0m

16. Chebi:40992

17. (s)-2-(acetylamino)propanoic Acid

18. Alanine, N-acetyl-

19. Sudismase

20. Mfcd00063132

21. Sudismase [inn]

22. (s)-2-acetamidopropionic Acid

23. Unii-26c4vy6z0m

24. Unii-oz9ya0932i

25. N-acetyl Alanine

26. N-acetyl-l-ala

27. Nsc-186892

28. (s)-2-acetylamino-propionic Acid

29. Einecs 202-602-0

30. Nsc 186892

31. (s)-n-acetylalanine

32. N-acetyl-(s)-alanine

33. Ch3conhch(ch3)cooh

34. (s)-(-)-n-acetylalanine

35. N-acetyl-l-.alpha.-alanine

36. Schembl330009

37. N-acetyl-l-alanine, ~99%

38. Oz9ya0932i

39. Chembl1231115

40. Dtxsid50861704

41. Zinc114134

42. Act00056

43. (2s)-2-(acetylamino)propanoic Acid

44. S3094

45. Akos010366966

46. Akos015837738

47. Am81475

48. Cs-w004066

49. Db02518

50. Fd21035

51. Hy-w004066

52. 110294-55-8

53. Ac-19165

54. As-19296

55. M03026

56. 063a132

57. Q27093502

58. 139cb1c7-d3cd-42b2-aa12-d5b74ef36071

59. Aya

60. N-acetylsuperoxide Dismutase (human Clone Ps 61-10 Copper-zinc Subunit Protein Moiety Reduced)

2.4 Create Date

2005-07-08

3 Chemical and Physical Properties

Molecular Formula	C₅H₉NO₃
Molecular Weight	131.13 g/mol
XLogP3	-0.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	131.058243149 g/mol
Monoisotopic Mass	131.058243149 g/mol
Topological Polar Surface Area	66.4 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	132
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