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Technical details about N-Acetyl-D-Alanine, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: 19436-52-3, Ac-d-ala-oh, (r)-2-acetamidopropanoic acid, (2r)-2-acetamidopropanoic acid, Acetyl-d-alanine, Iie41sbq9l
Molecular Formula
C5H9NO3
Molecular Weight
131.13  g/mol
InChI Key
KTHDTJVBEPMMGL-GSVOUGTGSA-N
FDA UNII
IIE41SBQ9L

N-Acetyl-D-alanine is a metabolite found in or produced by Saccharomyces cerevisiae.
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2R)-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-/m1/s1
2.1.3 InChI Key
KTHDTJVBEPMMGL-GSVOUGTGSA-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
IIE41SBQ9L
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 19436-52-3

2. Ac-d-ala-oh

3. (r)-2-acetamidopropanoic Acid

4. (2r)-2-acetamidopropanoic Acid

5. Acetyl-d-alanine

6. Iie41sbq9l

7. D-alanine, N-acetyl-

8. N-acetyl-d-ala

9. Nsc-203819

10. (r)-2-acetylamino-propionic Acid

11. Einecs 243-066-8

12. N-acetyl D-alanine

13. D-alanine,n-acetyl-

14. Unii-iie41sbq9l

15. Schembl330308

16. Chembl143309

17. (r)-2-acetamido-propanoic Acid

18. Alanine, N-acetyl-, D-

19. Dtxsid101315865

20. Zinc114138

21. (r)-(+)-n-acetylalanine

22. Mfcd00063133

23. Akos016842909

24. Am81474

25. Cs-w013429

26. Fd21057

27. Hy-w012713

28. Nsc 203819

29. Ds-15979

30. N-alpha-acetyl-d-alanine (ac-d-ala-oh)

31. A813726

32. J-012586

2.4 Create Date
2005-07-08
3 Chemical and Physical Properties
Molecular Weight 131.13 g/mol
Molecular Formula C5H9NO3
XLogP3-0.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass131.058243149 g/mol
Monoisotopic Mass131.058243149 g/mol
Topological Polar Surface Area66.4 Ų
Heavy Atom Count9
Formal Charge0
Complexity132
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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