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CHEMISTRY
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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: 328-39-2, H-dl-leu-oh, 2-amino-4-methylpentanoic acid, Leucine, dl-, (rs)-leucine, (+-)-leucine

Molecular Formula

C₆H₁₃NO₂

Molecular Weight

131.17 g/mol

InChI Key

ROHFNLRQFUQHCH-UHFFFAOYSA-N

FDA UNII

1QSS9D5DR6

1 2D Structure

328-39-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-amino-4-methylpentanoic acid

2.1.2 InChI

InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)

2.1.3 InChI Key

ROHFNLRQFUQHCH-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)CC(C(=O)O)N

2.2 Other Identifiers

2.2.1 UNII

1QSS9D5DR6

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Poly(l-leucine)

2. Poly-l-leucine

3. Polyleucine

2.3.2 Depositor-Supplied Synonyms

1. 328-39-2

2. H-dl-leu-oh

3. 2-amino-4-methylpentanoic Acid

4. Leucine, Dl-

5. (rs)-leucine

6. (+-)-leucine

7. Mfcd00063087

8. Leucine, Homopolymer

9. 2-amino-4-methyl-pentanoic Acid

10. Nsc46709

11. (+/-)-amino-4-methylpentanoic Acid

12. 1qss9d5dr6

13. Chebi:25017

14. 25322-63-8

15. Nsc-9252

16. ( Inverted Exclamation Marka)-leucine

17. Poly-l-leucine

18. 25988-64-1

19. Dl-2-amino-4-methylpentanoic Acid

20. 2-amino-4-methylpentanoicacid

21. Unii-1qss9d5dr6

22. Laevo-leucine

23. Leuzin

24. Hleu

25. Mfcd00002617

26. Mfcd00063088

27. Nsc-77687

28. D,l-leucine

29. 3h-leucine

30. D,1-leucine

31. Leucine #

32. .alpha.-amino-.gamma.-methylvaleric Acid

33. Nsc 9252

34. Einecs 206-328-2

35. L(+)-leucine

36. Norvaline, 4-methyl-

37. (.+-.)-leucine

38. Ai3-26709

39. L-leucine-[18o2]

40. (.+/-.)-leucine

41. Leu247

42. Leucine,(l)

43. Dl-leucine [fcc]

44. Schembl3888

45. .alpha.-aminoisocaproic Acid

46. Chembl46575

47. Wln: Qvyz1y1&1 -l

48. 2-amino-4-methyl Pentanoic Acid

49. Dtxsid00859050

50. Nsc9252

51. Wln: Qvyz1y1 & 1-d

52. Valeric Acid, 2-amino-4-methyl-

53. Dl-leucine, >=99% (hplc)

54. 73579-45-0

55. Hy-b1674

56. Nsc77687

57. (2r)-2-ammonio-4-methylpentanoate

58. Pentanoic Acid, 2-amino-4-methyl-

59. Ac7886

60. Dl-2-aminmo-4-methylvalerianic Acid

61. Lmfa01100048

62. Stl281857

63. Akos000118923

64. Akos016050505

65. Cs-w020700

66. Pb47827

67. 7005-03-0

68. Ac-24099

69. As-12287

70. Nci60_004103

71. Sy005863

72. Sy006365

73. Sy033229

74. Db-048277

75. Db-048278

76. Db-056575

77. Am20090485

78. Dl-leucine, Vetec(tm) Reagent Grade, 99%

79. Ft-0602784

80. Ft-0625480

81. Ft-0627930

82. Ft-0641848

83. Ft-0670765

84. Ft-0695062

85. Ft-0695813

86. Ft-0770717

87. Ft-0771371

88. L0028

89. (+/-)-2-amino-4-methylvaleric Acid

90. 328l392

91. A817787

92. A821451

93. Sr-01000944477

94. Q-100404

95. Sr-01000944477-1

96. Q60662890

97. F2191-0181

98. 8eb2668c-d303-4401-a7d5-8abd6b79b75f

2.4 Create Date

2004-09-16

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	3
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	101
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