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Details for Compound beta-alanine

Names
  • beta-alanine
  • Abufene
  • 3-Aminopropanoic acid
  • 3-Aminopropionic acid
  • Alanine, beta-
  • beta-Aminopropionic acid
  • 2-Carboxyethylamine
  • 3-Aminopropionsaeure
  • Propanoic acid, 3-amino-
  • beta-Aminopropionsaeure
  • Beta Alanine
  • .beta.-Alanine
  • beta-Ala
  • .beta.-Aminopropionic acid
  • 3-Aminopropanoate
  • 107-95-9
  • FEMA No. 3252
  • AI3-18470
  • omega-Aminopropionic acid
  • CHEBI:16958
  • NSC7603
  • NSC 7603
  • EINECS 203-536-5
  • STK301638
  • Abufene (TN)
  • ALANINE, BETA
  • Tocris-0206
  • beta-Alanine-beta-14C
  • nchembio.145-comp32
  • H2NCH2CH2COOH
  • bmse000159
  • Oprea1_583450
  • A0562_SIGMA
  • A9920_SIGMA
  • W325201_ALDRICH
  • 146064_ALDRICH
  • CHEMBL297569
  • CID239
  • 05159_FLUKA
  • beta-Alanine (6CI,8CI,9CI)
  • MolPort-001-641-009
  • PDSP1_000144
  • PDSP2_000143
  • DB03107
  • 39748-53-3 (mono-potassium salt)
  • NCGC00024495-01
  • NCGC00024495-02
  • 16690-93-0 (mono-hydrochloride salt)
  • LS-178732
  • 36321-40-1 (calcium (2:1) salt)
  • A0180
  • C00099
  • D07561
  • I04-0059
  • 7CA041EF-5103-439A-9D84-1761529BA8DA
  • InChI=1/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6
  • 28854-76-4
  • 87867-95-6
show 57 synonyms
PubChem ID 239
Attributes
  • #Atoms: 6
  • TPSA: 63.32
  • #Bonds: 5
  • #RotBonds: 2
  • MW: 89.09318
  • HBD: 2.0
  • HBA: 3.0
  • logP: 0.1201
  • Canonical SMILES:

  • InChI:

Lipinski's Rule of Five:
Matched Violated
  • HBD <= 5
  • HBA <= 10
  • MW < 500
  • logP <= 5
Organisms
References
Most Similar Compounds (tc ≥ 85):
  • No similar compounds found.
  • Compound Activity
    • No activities found.
    Synthesis Route
    • No synthesis routes known.
    Gene clusters
  • No gene cluster known.
  • Scaffolds
  • Scaffolds not available.
  • NMR Sprectrum
    • NMR spectrum:

    MS fragmentation pattern Intensity:10V
    m/z: 44.1
    m/z: 55
    m/z: 72
    m/z: 73
    m/z: 90.1

    Intensity:20V
    m/z: 44.1
    m/z: 55
    m/z: 72
    m/z: 73
    m/z: 90.1

    Intensity:40V
    m/z: 27
    m/z: 29
    m/z: 44.1
    m/z: 55
    m/z: 73
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