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2D Structure
Also known as: 62-57-7, 2-methylalanine, 2-amino-2-methylpropanoic acid, Alpha-aminoisobutyric acid, H-aib-oh, Alanine, 2-methyl-
Molecular Formula
C4H9NO2
Molecular Weight
103.12  g/mol
InChI Key
FUOOLUPWFVMBKG-UHFFFAOYSA-N
FDA UNII
1E7ZW41IQU

2-Aminoisobutyric acid is a metabolite found in or produced by Escherichia coli (strain K12, MG1655).
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-amino-2-methylpropanoic acid
2.1.2 InChI
InChI=1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7)
2.1.3 InChI Key
FUOOLUPWFVMBKG-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(C)(C(=O)O)N
2.2 Other Identifiers
2.2.1 UNII
1E7ZW41IQU
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 2-aminoisobutyric Acid, 11c-labeled

2. 2-aminoisobutyric Acid, 14c-labeled

3. 2-methylalanine

4. Alpha-aminoisobutyrate

5. Alpha-aminoisobutyric Acid

6. Alpha-methylalanine

2.3.2 Depositor-Supplied Synonyms

1. 62-57-7

2. 2-methylalanine

3. 2-amino-2-methylpropanoic Acid

4. Alpha-aminoisobutyric Acid

5. H-aib-oh

6. Alanine, 2-methyl-

7. 2-amino-2-methylpropionic Acid

8. Alpha-methylalanine

9. Alpha,alpha-dimethylglycine

10. Alpha-aminoisobutanoic Acid

11. Nsc 16590

12. A-aminoisobutyric Acid

13. Aib

14. Propionic Acid, 2-amino-2-methyl-

15. 2-amino-isobutyric Acid

16. 2-amino-2-methyl-propanoic Acid

17. A-aminoisobutyrate

18. 2-amino-2-methylpropanoate

19. 2-aminoisobutyrate

20. .alpha.-aminoisobutyric Acid

21. Mfcd00008049

22. .alpha.-aminoisobutanoic Acid

23. 2,2-dimethylglycine

24. .alpha.-methylalanine

25. A-aminoisobutanoic Acid

26. 1e7zw41iqu

27. .alpha.,.alpha.-dimethylglycine

28. Chebi:27971

29. Alanine, 2-methyl-, Homopolymer

30. Nsc-16590

31. 65503-84-6

32. Einecs 200-544-0

33. Unii-1e7zw41iqu

34. Cb 1637

35. Brn 0506496

36. A-methylalanine

37. Ai3-15082

38. 2-methyl Alanine

39. A-aminoisobutanoate

40. A,a-dimethylglycine

41. Aminoisobutyric Acid

42. 2-methyl-l-alanine

43. Alpha-aminoisobutyrate

44. Alpha-aminoisobutanoate

45. Enzalutamide Intermediate

46. .alpha.-aminoisobutyrate

47. Alpha -aminoisobutyric Acid

48. Schembl23312

49. 4-04-00-02616 (beilstein Handbook Reference)

50. 765258-64-8

51. Wln: Zx1&1&vq

52. 2-aminoisobutyric Acid, 98%

53. Chembl1230906

54. Dtxsid0058772

55. 2-amino-2-methyl-propionic Acid

56. Zinc901801

57. Act04808

58. Albb-006012

59. Cs-b0930

60. Hy-y0124

61. Nsc16590

62. Propanoic Acid, 2-amino-2-methyl-

63. Ac8052

64. Bbl027672

65. Lmfa01100053

66. S6270

67. Stk034507

68. Akos000195995

69. Ab00918

70. Ac-2694

71. Db02952

72. Nsc-16590;2-methylalanine;h-aib-oh

73. As-15790

74. Bp-12097

75. Sy002590

76. .alpha.-aminoisobutyric Acid [mi]

77. A0323

78. Am20100517

79. Bb 0253767

80. Ft-0611252

81. Ft-0635088

82. Ft-0671434

83. En300-53414

84. A-6036

85. A22742

86. C03665

87. J-300332

88. Q4596860

89. Alpha-aminoisobutyric Acid, Puriss., >=99.0% (nt)

90. 5085f756-cf99-4860-bbbd-469f4bdef53c

91. F8889-8339

92. Z317024776

93. N-me-alanine;n-me-ala-oh; Dl-2-amino-iso-butyric Acid;h-2-aminoisobutyric Acid

94. 857402-27-8

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 103.12 g/mol
Molecular Formula C4H9NO2
XLogP3-2.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area63.3
Heavy Atom Count7
Formal Charge0
Complexity87.7
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1