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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: 144-90-1, 3-aminoisobutyric acid, Alpha-methyl-beta-alanine, 2-methyl-beta-alanine, Baib, T68ale2o9f

Molecular Formula

C₄H₉NO₂

Molecular Weight

103.12 g/mol

InChI Key

QCHPKSFMDHPSNR-UHFFFAOYSA-N

FDA UNII

T68ALE2O9F

RN given refers to cpd without isomeric designation

1 2D Structure

Beta-Aminoisobutyric Acid

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-amino-2-methylpropanoic acid

2.1.2 InChI

InChI=1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7)

2.1.3 InChI Key

QCHPKSFMDHPSNR-UHFFFAOYSA-N

2.2 Other Identifiers

2.2.1 UNII

T68ALE2O9F

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 3-aminoisobutyric Acid

2.3.2 Depositor-Supplied Synonyms

1. 144-90-1

2. 3-aminoisobutyric Acid

3. Alpha-methyl-beta-alanine

4. 2-methyl-beta-alanine

5. Baib

6. T68ale2o9f

7. Chebi:27389

8. Dtxsid10861821

9. Refchem:497740

10. Dtxcid10810692

11. Dl-3-aminoisobutyric Acid

12. 3-amino-2-methylpropanoic Acid

13. 10569-72-9

14. Propanoic Acid, 3-amino-2-methyl-

15. 3-aminoisobutanoate

16. Dl-beta-aminoisobutyric Acid

17. Dl-3-amino-2-methylpropionic Acid

18. Mfcd00008145

19. Dl-3-aminoisobutyricacid

20. Baiba

21. 2-(aminomethyl)propionic Acid

22. 3-amino-isobutanoic Acid

23. 3-amino-2-methylpropanoate

24. Dl-.beta.-aminoisobutyric Acid

25. 3-amino-2-methylpropionic Acid

26. B-aminoisobutyric Acid

27. 3-aminoisobutanoic Acid

28. Dl-2-methyl-beta-alanine

29. Isobutanoic Acid, 3-amino-

30. Dl-3-aminoisobutyric Acid Hydrate

31. (+/-)-3-aminoisobutyric Acid

32. 3-amino-3-methyl-propionic Acid

33. (+/-)-beta-aminoisobutyric Acid

34. (+/-)-3-amino-2-methylpropanoic Acid

35. 3-amino-isobutanoate

36. A-methyl-

37. A-alanine

38. Einecs 205-644-8

39. Unii-t68ale2o9f

40. Aminoisobutanoate

41. A-methyl-b-alanine

42. Einecs 234-154-7

43. (1)-3-amino-2-methylpropionic Acid

44. 2-methyl-b-alanine

45. Dl-2-methyl-b-alanine

46. Beta-amino-isobutyric Acid

47. Bmse000828

48. .beta.-aminoisobutyric Acid

49. Schembl2191

50. 3-amino-2-methylpropanoicacid

51. (+/-)-b-aminoisobutyric Acid

52. Orb1302478

53. Schembl1387196

54. Schembl4661067

55. Schembl9172741

56. 2-methyl-3-aminopropionic Acid

57. Dl-3-aminoisobutyricacidhydrate

58. Chembl3544550

59. 3-amino-2-methyl-propanoic Acid

60. Msk2652

61. Dl-3-aminoisobutyric Acid, 98%

62. Albb-026586

63. Dl-3-amino-2-methylpropanoic Acid

64. 3-amino-2(r,s)methylpropionic Acid

65. Dl-2-methyl-.beta.-alanine

66. (+/-)-3-amino-2-methylpropanoate

67. Lmfa01100054

68. S6134

69. Sbb061656

70. 3-amino-2(r,s)-methylpropionic Acid

71. Akos003404809

72. Akos016843206

73. Baiba;3-amino-2-methylpropanoic Acid

74. Ab00933

75. Ab08204

76. Ab35706

77. Cs-w013690

78. Fa37458

79. Hy-w012974

80. (+/-)-3-amino-2-methylpropionic Acid

81. (+/-)-2-methyl-3-aminopropanoic Acid

82. 3-amino-2-methyl-propionic Acid

83. Bs-12724

84. Propanoic Acid,3-amino-2-methyl-

85. Sy009267

86. (+/-)-.beta.-aminoisobutyric Acid

87. A0324

88. Ns00014831

89. St45025432

90. En300-64468

91. C05145

92. 569a729

93. F226386

94. Q2823212

95. Dl-beta-aminoisobutyric Acid, Puriss., >=99.0% (nt)

96. Z431542704

97. E94c87b1-0a40-4734-863c-16c484e7ee63

2.4 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₄H₉NO₂
Molecular Weight	103.12 g/mol
XLogP3	-2.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	63.3
Heavy Atom Count	7
Formal Charge	0
Complexity	72.1
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