1.0 2016-09-30 22:51:56 UTC 2020-05-19 22:01:20 UTC BMDB0002166 BMDB02166 (S)-b-aminoisobutyric acid (S)-3-Amino-2-methylpropanoic acid (S)-3-Amino-isobutanoic acid (S)-3-Amino-isobutyric acid L-3-Amino-isobutanoic acid L-3-Amino-isobutyric acid (S)-3-Aminoisobutyrate L-3-Aminoisobutyrate (S)-3-Aminoisobutanoate (S)-3-Amino-2-methylpropanoate (S)-beta-Aminoisobutyrate (S)-3-Amino-isobutanoate (S)-3-Amino-isobutyrate L-3-Amino-isobutanoate L-3-Amino-isobutyrate (S)-3-Aminoisobutyric acid L-3-Aminoisobutyric acid (S)-3-Aminoisobutanoic acid (S)-b-Aminoisobutyrate (S)-b-Aminoisobutyric acid (S)-Β-aminoisobutyrate (S)-Β-aminoisobutyric acid (S)-beta-Aminoisobutyric acid (+)-a-Methyl-b-alanine (+)-alpha-Methyl-beta-alanine (+)-b-Aminoisobutyric acid (+)-beta-Aminoisobutyric acid (S)-3-amino-2-Methyl-propanoate (S)-3-amino-2-Methyl-propanoic acid L-2-Methyl-b-alanine L-2-Methyl-beta-alanine L-3-amino-2-Methylpropanoate L-3-amino-2-Methylpropanoic acid L-3-amino-2-Methylpropionic acid L-b-Aminoisobutyrate L-b-Aminoisobutyric acid L-beta-Aminoisobutyrate L-beta-Aminoisobutyric acid S-b-Aminoisobutyrate S-beta-Aminoisobutyrate S-beta-Aminoisobutyric acid C4H9NO2 103.1198 103.063328537 (2S)-3-amino-2-methylpropanoic acid L-β-aminoisobutyric acid 4249-19-8 C[C@@H](CN)C(O)=O InChI=1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1 QCHPKSFMDHPSNR-VKHMYHEASA-N belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Beta amino acids and derivatives Amino acids Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monoalkylamines Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Aliphatic acyclic compound Amine Amino acid Beta amino acid or derivatives Carbonyl group Carboxylic acid Hydrocarbon derivative Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine Aliphatic acyclic compounds 3-aminoisobutyric acid Amino fatty acids beta-amino acid Solid melting_point 175 - 177 °C logp -2.97 ALOGPS logs 0.55 ALOGPS logp -2.6 ChemAxon pka_strongest_acidic 4.17 ChemAxon pka_strongest_basic 10.32 ChemAxon iupac (2S)-3-amino-2-methylpropanoic acid ChemAxon average_mass 103.1198 ChemAxon mono_mass 103.063328537 ChemAxon smiles C[C@@H](CN)C(O)=O ChemAxon formula C4H9NO2 ChemAxon inchi InChI=1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1 ChemAxon inchikey QCHPKSFMDHPSNR-VKHMYHEASA-N ChemAxon polar_surface_area 63.32 ChemAxon refractivity 25.28 ChemAxon polarizability 10.42 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Valine, Leucine, and Isoleucine Degradation SMP0087234 Specdb::CMs 23210 Specdb::CMs 38294 Specdb::CMs 151967 Specdb::MsIr 1653 Specdb::MsIr 1654 Specdb::MsIr 1655 Specdb::NmrOneD 149060 Specdb::NmrOneD 149061 Specdb::NmrOneD 149062 Specdb::NmrOneD 149063 Specdb::NmrOneD 149064 Specdb::NmrOneD 149065 Specdb::NmrOneD 149066 Specdb::NmrOneD 149067 Specdb::NmrOneD 149068 Specdb::NmrOneD 149069 Specdb::NmrOneD 149070 Specdb::NmrOneD 149071 Specdb::NmrOneD 149072 Specdb::NmrOneD 149073 Specdb::NmrOneD 149074 Specdb::NmrOneD 149075 Specdb::NmrOneD 149076 Specdb::NmrOneD 149077 Specdb::NmrOneD 149078 Specdb::NmrOneD 149079 Specdb::MsMs 25748 Specdb::MsMs 25749 Specdb::MsMs 25750 Specdb::MsMs 32306 Specdb::MsMs 32307 Specdb::MsMs 32308 Specdb::MsMs 1472777 Specdb::MsMs 1472778 Specdb::MsMs 1472779 Specdb::MsMs 1472780 Specdb::MsMs 1472781 Specdb::MsMs 1472782 Specdb::MsMs 1472783 Specdb::MsMs 1472784 Specdb::MsMs 1472785 Specdb::MsMs 1472786 Specdb::MsMs 1472787 Specdb::MsMs 1478290 Specdb::MsMs 1478291 Specdb::MsMs 1478292 Specdb::MsMs 1478293 Specdb::MsMs 1478294 Specdb::MsMs 1478295 Specdb::MsMs 1478296 Specdb::MsMs 1478297 388543 C03284 FDB022878 439434 33094 CPD-466 6520 Alauddin, Mian M.; Fissekis, John D.; Conti, Peter S. a-Alkylation of amino acid derivatives: synthesis and chiral resolution of [11C]b-aminoisobutyric acid. Nuclear Medicine and Biology (1997), 24(8), 771-775. BMDBP00596 4-aminobutyrate aminotransferase, mitochondrial Q9BGI0 ABAT Enzyme