DL-Valine API

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Also known as: 516-06-3, 2-amino-3-methylbutanoic acid, H-dl-val-oh, Valine, dl-, 2-aminoisovaleric acid, Fema no. 3444

Molecular Formula

C₅H₁₁NO₂

Molecular Weight

117.15 g/mol

InChI Key

KZSNJWFQEVHDMF-UHFFFAOYSA-N

FDA UNII

4CA13A832H

1 2D Structure

DL-Valine API

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-amino-3-methylbutanoic acid

2.1.2 InChI

InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)

2.1.3 InChI Key

KZSNJWFQEVHDMF-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Other Identifiers

2.2.1 UNII

4CA13A832H

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Poly(l-val)

2. Polyvaline

2.3.2 Depositor-Supplied Synonyms

1. 516-06-3

2. 2-amino-3-methylbutanoic Acid

3. H-dl-val-oh

4. Valine, Dl-

5. 2-aminoisovaleric Acid

6. Fema No. 3444

7. Nsc 9755

8. Mfcd00004267

9. 2-amino-3-methylbutanoic Acid, Dl-

10. 25609-85-2

11. Valina

12. Dl-.alpha.-aminoisovaleric Acid

13. Chebi:27266

14. 4ca13a832h

15. Nsc-9755

16. Nsc76038

17. Valin

18. L-valine-13c5,15n

19. Poly-l-valine

20. Dl-2-amino-3-methylbutanoic Acid

21. 2-aminoisovaleric Acid, Dl-

22. Laevo-valine

23. Hval

24. Unii-4ca13a832h

25. Ccris 8604

26. L-(+)-.alpha.-aminoisovaleric Acid

27. Mfcd00064219

28. Mfcd00064220

29. Nsc-20654

30. Alpha-aminoisovaleric Acid, Dl-

31. (dl)-valine

32. Dextro,laevo-valine

33. 1116448-82-8

34. (rs)-valine

35. Einecs 208-220-0

36. 2-amino-3-methylbutyric Acid, Dl-

37. Dl-val

38. D-valine-[d8]

39. D,l-valine

40. Ai3-18308

41. Dl-2-aminoisovaleric Acid

42. Dl-valine, >=97%

43. Schembl8515

44. Valine, (l)

45. D,l-valine [fhfi]

46. Val-376

47. Wln: Qvyzy1&1

48. Dl-valine-[2,3-d2]

49. 2-amino-3-methylbutanoicacid

50. Chembl11257

51. Wln: Qvyzy1&1 -d

52. Wln: Qvyzy1&1 -l

53. (+/-)-a-aminoisovaleric Acid

54. (+/-)-valine

55. Dtxsid70859522

56. Nsc9755

57. Dl-valine, >=97% (tlc)

58. 202407-30-5

59. Bcp30283

60. Nsc20654

61. Lmfa01100046

62. Nsc125673

63. Nsc125674

64. Stl194272

65. Akos000118926

66. Akos016050509

67. Ab02568

68. Ab02570

69. Am82364

70. Cs-w013605

71. Hy-w012889

72. Nsc-125673

73. Nsc-125674

74. (+/-)-2-aminoisovaleric Acid

75. Ncgc00159470-03

76. Ac-24062

77. As-11670

78. Sy002589

79. Sy002593

80. 2-amino-3-methylbutanoic Acid (dl-valine)

81. Dl-valine, Vetec(tm) Reagent Grade, 99%

82. Ft-0625531

83. Ft-0625632

84. Ft-0628054

85. Ft-0675760

86. Ft-0698111

87. V0013

88. (+/-)-2-amino-3-methylbutyric Acid

89. 5-methylisoxazole-3-carboxylic Acid Ethyl Ester

90. Dl-valine, Reagentplus(r), >=99.0% (nt)

91. 516v063

92. Sr-01000944852

93. Q-100577

94. Sr-01000944852-1

95. Q27109943

96. Z57127382

97. F2191-0220

98. Valine; Nsc 76038; Nsc-76038; Nsc76038; Valina

99. 8d785241-1ac3-4c14-8d43-308a8ea5169c

2.4 Create Date

2004-09-16

3 Chemical and Physical Properties

Molecular Formula	C₅H₁₁NO₂
Molecular Weight	117.15 g/mol
XLogP3	-2.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	117.078978594 g/mol
Monoisotopic Mass	117.078978594 g/mol
Topological Polar Surface Area	63.3 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	90.4
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