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    CAS 80-60-4

    BUILDING BLOCK

    PharmaCompass
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    2D Structure
    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

    2D Structure

    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 Weight 103.12 g/mol
    Molecular Formula C4H9NO2
    XLogP3-2.5
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count2
    Exact Mass103.063328530 g/mol
    Monoisotopic Mass103.063328530 g/mol
    Topological Polar Surface Area63.3 Ų
    Heavy Atom Count7
    Formal Charge0
    Complexity72.1
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1