CAS 80-60-4

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3 End Use APIs
19 Related Intermediates

Chemistry

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Also known as: Dl-2-aminobutyric acid, 2835-81-6, 2-aminobutanoic acid, H-dl-abu-oh, Butanoic acid, 2-amino-, Butyrine

Molecular Formula

C₄H₉NO₂

Molecular Weight

103.12 g/mol

InChI Key

QWCKQJZIFLGMSD-UHFFFAOYSA-N

FDA UNII

8306QPJ19P

Alpha-Aminobutyric Acid is an alpha-amino acid that is a derivative of alanine with a side chain that is one carbon longer than the alanine side chain. It is synthesized through the transamination of oxobutyrate and is utilized in the biosynthesis of nonribosomal peptides.

1 2D Structure

CAS 80-60-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-aminobutanoic acid

2.1.2 InChI

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

2.1.3 InChI Key

QWCKQJZIFLGMSD-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCC(C(=O)O)N

2.2 Other Identifiers

2.2.1 UNII

8306QPJ19P

2.3 Synonyms

2.3.1 MeSH Synonyms

1. (2s)-2-aminobutanoic Acid

2. 2-aminobutanoic Acid

3. Alpha-aminobutyric Acid

4. Alpha-aminobutyric Acid, (+-)-isomer

5. Alpha-aminobutyric Acid, (r)-isomer

6. Alpha-aminobutyric Acid, (s)-isomer

7. Butyrine

8. Butyrine, (+-)-isomer

9. Butyrine, (r)-isomer

10. Butyrine, (s)-isomer

11. Homoalanine

12. L-2-aminobutyric Acid

13. L-homoalanine

2.3.2 Depositor-Supplied Synonyms

1. Dl-2-aminobutyric Acid

2. 2835-81-6

3. 2-aminobutanoic Acid

4. H-dl-abu-oh

5. Butanoic Acid, 2-amino-

6. Butyrine

7. Alpha-aminobutyric Acid

8. 80-60-4

9. Dl-2-amino-n-butyric Acid

10. Butanoic Acid, Amino-

11. Aaba

12. 2-amino-butyric Acid

13. Dl-alpha-amino-n-butyric Acid

14. Butyric Acid, 2-amino-, Dl-

15. Alpha-amino-n-butyric Acid

16. L-.alpha.-aminobutyrate

17. Dl-2-aminobutanoic Acid

18. Butyric Acid, 2-amino-

19. Mfcd00008093

20. L-.alpha.-aminobutyric Acid

21. Dl-.alpha.-aminobutyric Acid

22. 2-amino-n-butyric Acid

23. Chebi:35621

24. L-.alpha.-amino-n-butyric Acid

25. Dl-.alpha.-amino-n-butyric Acid

26. Nsc3251

27. 8306qpj19p

28. Nsc-3251

29. Dl-.alpha.-amino-n-butyric Acid (.beta.-form)

30. Homoalanine

31. Butyric Acid, 2-amino-, L-

32. Dl-a-amino-n-butyric Acid

33. L--aminobutyric Acid

34. Abu

35. L-2-aminobutanoic Acid

36. Unii-8306qpj19p

37. Mfcd00064414

38. Mfcd00064415

39. Nsc-97060

40. 1276197-51-3

41. 1276197-57-9

42. Nsc 3251

43. Einecs 201-296-6

44. Einecs 220-616-5

45. D--aminobutyric Acid

46. Aminobutyric Acid,-2-, Alpha

47. Butanoic Acid, 2-amino-, (.+-.)-

48. 2-aminobutyric Acid, Dl

49. Ai3-15284

50. Dl-alpha-amino-n-butyric Acid (beta-form)

51. Dl-alpha-aminobutyric Acid

52. Bmse000390

53. Schembl23958

54. Chembl55242

55. L-2-aminobutyric Acid-[d6]

56. Aminobutyric Acid, Alpha

57. Dl-2- Aminobutyric Acid

58. .alpha.-aminobutyric Acid

59. 2-aminobutanoic Acid, (l)- #

60. Dtxsid90862679

61. 2-aminobutyric Acid, Dl-

62. Albb-016221

63. Bcp04716

64. Nsc97060

65. Bbl012213

66. Stl163554

67. Akos000201117

68. Akos016050533

69. Ab00928

70. Cs-w011306

71. Hy-w010590

72. Sb33762

73. .alpha.-aminobutyric Acid [mi]

74. .alpha.-aminobutyric Acid, Dl-

75. As-11292

76. Sy001956

77. Sy002291

78. Sy005223

79. A0280

80. Am20090360

81. Ft-0601401

82. Ft-0602481

83. Ft-0611236

84. Ft-0625389

85. Ft-0661631

86. Ft-0661632

87. En300-21289

88. A-5210

89. A22744

90. D-2-aminobutyric Acid-[2,3,3,4,4,4-d6]

91. Dl-2-aminobutyric Acid, Reagentplus(r), 99%

92. M01290

93. Q285687

94. Dl-2-aminobutyric Acid, Puriss., >=99.0% (nt)

95. Dl-2-aminobutyric Acid, Vetec(tm) Reagent Grade, 98%

96. F8889-0487

97. Z234894459

98. 4d86307c-8b58-428c-bb29-5fe70d44669a

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₄H₉NO₂
Molecular Weight	103.12 g/mol
XLogP3	-2.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	103.063328530 g/mol
Monoisotopic Mass	103.063328530 g/mol
Topological Polar Surface Area	63.3 Å²
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