CAS 62-57-7

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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

CAS 62-57-7

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 Formula	C₄H₉NO₂
Molecular Weight	103.12 g/mol
XLogP3	-2.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	63.3
Heavy Atom Count	7
Formal Charge	0
Complexity	87.7
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1