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2D Structure
Also known as: 6113-61-7, N-formyl-leu-oh, N-formylleucine, L-leucine, n-formyl-, (2s)-2-formamido-4-methylpentanoic acid, 5tha63y4ff
Molecular Formula
C7H13NO3
Molecular Weight
159.18  g/mol
InChI Key
HFBHOAHFRNLZGN-LURJTMIESA-N
FDA UNII
5THA63Y4FF

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2S)-2-formamido-4-methylpentanoic acid
2.1.2 InChI
InChI=1S/C7H13NO3/c1-5(2)3-6(7(10)11)8-4-9/h4-6H,3H2,1-2H3,(H,8,9)(H,10,11)/t6-/m0/s1
2.1.3 InChI Key
HFBHOAHFRNLZGN-LURJTMIESA-N
2.1.4 Canonical SMILES
CC(C)CC(C(=O)O)NC=O
2.1.5 Isomeric SMILES
CC(C)C[C@@H](C(=O)O)NC=O
2.2 Other Identifiers
2.2.1 UNII
5THA63Y4FF
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 6113-61-7

2. N-formyl-leu-oh

3. N-formylleucine

4. L-leucine, N-formyl-

5. (2s)-2-formamido-4-methylpentanoic Acid

6. 5tha63y4ff

7. (s)-2-formamido-4-methylpentanoic Acid

8. (s)-(+)-2-formamido-4-methylpentanoic Acid

9. N-formylleucine #

10. Unii-5tha63y4ff

11. Formylleucine

12. Formylleucin

13. Formyl-l-leucine

14. N-formyl L-leu

15. N-formyl Leucine

16. Nsc-334321

17. N-formyl-s-leucine

18. Einecs 228-080-4

19. For-leu-oh

20. N-formyl L Leucine

21. Mfcd00055861

22. N-formyl-(s)-leucine

23. N-formyl-leu-oh, 90%

24. Schembl1399853

25. Dtxsid90878997

26. Zinc402913

27. Hy-i0591

28. Formylleucine [usp Impurity]

29. Bbl104007

30. Ethyleneglycolbis(3-aminopropyl)ether

31. Stl557818

32. N-formyl-l-leucine (for-l-leu-oh)

33. Akos005255679

34. Akos010389171

35. Ds-9758

36. Nsc 334321

37. Cs-0009546

38. F0131

39. I11527

40. 113f617

41. A868797

42. Q27262845

2.4 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 159.18 g/mol
Molecular Formula C7H13NO3
XLogP30.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass159.08954328 g/mol
Monoisotopic Mass159.08954328 g/mol
Topological Polar Surface Area66.4 Ų
Heavy Atom Count11
Formal Charge0
Complexity145
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1