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2D Structure
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

2D Structure

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 Weight 117.15 g/mol
Molecular Formula C5H11NO2
XLogP3-2.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass117.078978594 g/mol
Monoisotopic Mass117.078978594 g/mol
Topological Polar Surface Area63.3 Ų
Heavy Atom Count8
Formal Charge0
Complexity90.4
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1