Free Chemical Databases



  • [Synonyms]

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight146.18756 [g/mol]
    Molecular FormulaC6H14N2O2
    XLogP-0.8
    H-Bond Donor2
    H-Bond Acceptor4
    Rotatable Bond Count5
    Exact Mass146.105528
    MonoIsotopic Mass146.105528
    Topological Polar Surface Area78.3
    Heavy Atom Count10
    Formal Charge0
    Complexity106
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count1
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: ethyl 2,4-diaminobutanoate
    Canonical SMILES: CCOC(=O)C(CCN)N
    InChI: InChI=1/C6H14N2O2/c1-2-10-6(9)5(8)3-4-7/h5H,2-4,7-8H2,1H3



.171875