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CHEMISTRY
Discover Molecule Insights

ACTIVE PHARMA INGREDIENTS

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Synopsis

ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: 1115-69-1, 2-acetamidopropanoic acid, Ac-dl-ala-oh, 2-acetylaminopropionic acid, Acetyl-dl-alanine, 2-acetylamino-propionic acid

Molecular Formula

C₅H₉NO₃

Molecular Weight

131.13 g/mol

InChI Key

KTHDTJVBEPMMGL-UHFFFAOYSA-N

1 2D Structure

N-Acetyl-Dl-Alanine

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

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)

2.1.3 InChI Key

KTHDTJVBEPMMGL-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1115-69-1

2. 2-acetamidopropanoic Acid

3. Ac-dl-ala-oh

4. 2-acetylaminopropionic Acid

5. Acetyl-dl-alanine

6. 2-acetylamino-propionic Acid

7. Dl-alanine, N-acetyl-

8. Mfcd00037238

9. N-alpha-acetyl-dl-alanine

10. Alanine, N-acetyl-

11. N-acetyl-dl-2-aminopropionic Acid

12. (s)-2-acetamidopropionic Acid

13. Mfcd00063132

14. N-acetyl-alanine

15. Nsc-186892

16. Nsc-203819

17. N-acetylalanine #

18. Einecs 214-229-0

19. N-acetyl-d,l-alanine

20. 2-acetamido-propionic Acid

21. Bmse000157

22. Schembl330011

23. L-alanine, N-acetyl- (9ci)

24. Chebi:170067

25. Act00054

26. Alanine, N-acetyl-, L- (8ci)

27. Nsc43118

28. Bbl007614

29. Nsc 43118

30. Nsc-43118

31. Nsc186892

32. Nsc203819

33. Stk365649

34. Akos000264080

35. Akos016050387

36. Akos032963153

37. Am81476

38. Cs-w011105

39. Fd21049

40. Hy-w010389

41. Ncgc00341606-01

42. As-14822

43. Sy032572

44. Sy038273

45. Db-040989

46. A0072

47. Ft-0629809

48. Ft-0629827

49. Ft-0688933

50. Dhp Linker?3,4-dihydro-2h-pyran-2-methanol

51. Ab01333769-02

52. A802385

53. W-108671

54. Df79ac11-85d4-454b-af98-1752a619becc

2.3 Create Date

2005-03-26

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	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1