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CHEMISTRY
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ACTIVE PHARMA INGREDIENTS

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ACTIVE PHARMA INGREDIENTS

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Chemistry

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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

N-Formyl-L-Leucine

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 Formula	C₇H₁₃NO₃
Molecular Weight	159.18 g/mol
XLogP3	0.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	159.08954328 g/mol
Monoisotopic Mass	159.08954328 g/mol
Topological Polar Surface Area	66.4 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	145
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