N-Acetyl-D-Leucine

Synopsis, Chemistry

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Also known as: 19764-30-8, Ac-d-leu-oh, D-leucine, n-acetyl-, N-acetyl-r-leucine, (2r)-2-acetamido-4-methylpentanoic acid, Acetylleucine, d-

Molecular Formula

C₈H₁₅NO₃

Molecular Weight

173.21 g/mol

InChI Key

WXNXCEHXYPACJF-SSDOTTSWSA-N

FDA UNII

91WU82GA22

N-Acetyl-D-leucine is a metabolite found in or produced by Saccharomyces cerevisiae.

1 2D Structure

N-Acetyl-D-Leucine

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2R)-2-acetamido-4-methylpentanoic acid

2.1.2 InChI

InChI=1S/C8H15NO3/c1-5(2)4-7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12)/t7-/m1/s1

2.1.3 InChI Key

WXNXCEHXYPACJF-SSDOTTSWSA-N

2.1.4 Canonical SMILES

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

2.1.5 Isomeric SMILES

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

2.2 Other Identifiers

2.2.1 UNII

91WU82GA22

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 19764-30-8

2. Ac-d-leu-oh

3. D-leucine, N-acetyl-

4. N-acetyl-r-leucine

5. (2r)-2-acetamido-4-methylpentanoic Acid

6. Acetylleucine, D-

7. Acetylleucine, (r)-

8. (r)-2-acetamido-4-methylpentanoic Acid

9. Leucine, N-acetyl-, D-

10. 91wu82ga22

11. Acetyl-d-leucine

12. Mfcd00066069

13. 2,n-acetyl-d-leucine

14. D-acetylleucine

15. Unii-91wu82ga22

16. (r)-acetylleucine

17. N-acetyl-d-leu

18. Ncgc00094935-01

19. N-acetyl-(d)-leucine

20. Schembl714003

21. Chembl174357

22. Chebi:94479

23. Dtxsid50361310

24. Chebi:146296

25. Act07449

26. Hy-y1080

27. Zinc3865059

28. S4514

29. Akos016842336

30. Akos025117328

31. Ccg-266380

32. Cs-w020713

33. Ds-1211

34. Fd21901

35. Ncgc00094935-02

36. Ac-22376

37. A0713

38. Am20090137

39. A-1455

40. A20910

41. 764a308

42. Q-100200

43. Brd-k05831461-001-01-8

2.4 Create Date

2005-07-10

3 Chemical and Physical Properties

Molecular Formula	C₈H₁₅NO₃
Molecular Weight	173.21 g/mol
XLogP3	0.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	173.10519334 g/mol
Monoisotopic Mass	173.10519334 g/mol
Topological Polar Surface Area	66.4 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	177
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