MolPort-001-779-687

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Also known as: 616-06-8, 2-aminohexanoic acid, H-dl-nle-oh, Norleucine, dl-, (+/-)-norleucine, 2-aminohexanoic acid, dl-

Molecular Formula

C₆H₁₃NO₂

Molecular Weight

131.17 g/mol

InChI Key

LRQKBLKVPFOOQJ-UHFFFAOYSA-N

FDA UNII

5C81BE5GKK

1 2D Structure

MolPort-001-779-687

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-aminohexanoic acid

2.1.2 InChI

InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)

2.1.3 InChI Key

LRQKBLKVPFOOQJ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCCC(C(=O)O)N

2.2 Other Identifiers

2.2.1 UNII

5C81BE5GKK

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 616-06-8

2. 2-aminohexanoic Acid

3. H-dl-nle-oh

4. Norleucine, Dl-

5. (+/-)-norleucine

6. 2-aminohexanoic Acid, Dl-

7. Hexanoic Acid, Amino-

8. Norleucine, (+/-)-

9. Dl-.alpha.-aminocaproic Acid

10. Mfcd00064422

11. 5c81be5gkk

12. Nsc74430

13. Nsc203799

14. Nsc-203799

15. Hexanoic Acid, (s)-

16. 2-amino-hexanoic Acid

17. (+-)-norleucine

18. .alpha.-aminocaproic Acid

19. Dl-2-aminohexanoic Acid

20. Dl-alpha-aminocaproic Acid

21. Unii-5c81be5gkk

22. Mfcd00008099

23. Mfcd00064423

24. 2-aminohexanoicacid

25. Einecs 210-462-7

26. Nsc 203799

27. (.+-.)-norleucine

28. Norleucine, (l)

29. (.+/-.)-norleucine

30. Schembl8392

31. (+/-)-2-aminocaproic Acid

32. Norleucine Dl-form [mi]

33. Chebi:36405

34. Dtxsid40861874

35. Nsc10378

36. Bbl011583

37. Nsc-74430

38. Stk943761

39. Akos000201118

40. Akos016053503

41. Am82585

42. Cs-w013425

43. Hy-w012709

44. Sb75379

45. (2r)-2-aminohexanoic Acid;d-norleucine

46. As-17286

47. Sy036145

48. Sy038236

49. Sy062052

50. Db-048259

51. Ft-0624339

52. Ft-0625493

53. Ft-0627603

54. N0302

55. En300-18344

56. N-8796

57. (+/-)-2-aminocaproic Acid, 2-aminohexanoic Acid

58. 616n068

59. A821399

60. J-300346

61. Q27116817

62. F2191-0205

63. 0ff7d875-44f8-41fa-8c5a-94108672bd95

64. 5157-09-5

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₆H₁₃NO₂
Molecular Weight	131.17 g/mol
XLogP3	-1.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	131.094628657 g/mol
Monoisotopic Mass	131.094628657 g/mol
Topological Polar Surface Area	63.3 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	93.1
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