1.0 2016-09-30 22:18:36 UTC 2020-05-19 22:01:20 UTC BMDB0000023 BMDB00023 (S)-3-Hydroxyisobutyric acid (S)-3-Hydroxy-2-methylpropanoic acid (S)-3-Hydroxy-2-methylpropionic acid (S)-3-Hydroxy-2-methylpropanoate (S)-3-Hydroxy-2-methylpropionate (S)-3-Hydroxyisobutyrate 2-Methyl-L-(+)-hydracrylate 2-Methyl-L-(+)-hydracrylic acid 3-Hydroxy(iso)butyric acid 3-Hydroxy-2-methyl-(S)-propanoate 3-Hydroxy-2-methyl-(S)-propanoic acid 3-Hydroxy-2-methylpropanoate 3-Hydroxy-2-methylpropanoic acid 3-Hydroxy-isobutyrate 3-Hydroxyisobutyrate 3-Hydroxyisobutyric acid (2S)-3-Hydroxy-2-methylpropanoic acid (2S)-3-Hydroxy-2-methylpropionic acid (S)-beta-Hydroxyisobutyric acid (S)-Β-hydroxyisobutyric acid (±)-3-hydroxy-2-methylpropanoic acid (±)-3-hydroxy-2-methylpropionic acid 2-(Hydroxymethyl)propanoic acid 2-(Hydroxymethyl)propionic acid 2-Methyl-3-hydroxypropanoic acid 2-Methyl-3-hydroxypropionic acid 3-HIBA 3-Hydroxy-2-methylpropionic acid DL-3-Hydroxyisobutyric acid L-(+)-beta-Hydroxyisobutyric acid L-(+)-Β-hydroxyisobutyric acid beta-Hydroxyisobutyric acid Β-hydroxyisobutyric acid 3-Hydroxy-2-isobutyrate 3-Hydroxy-2-isobutyric acid (S)-3-Hydroxyisobutyric acid C4H8O3 104.1045 104.047344122 (2S)-3-hydroxy-2-methylpropanoic acid (S)-3-hydroxyisobutyric acid 2068-83-9 C[C@@H](CO)C(O)=O InChI=1S/C4H8O3/c1-3(2-5)4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m0/s1 DBXBTMSZEOQQDU-VKHMYHEASA-N belongs to the class of organic compounds known as beta hydroxy acids and derivatives. Beta hydroxy acids and derivatives are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom. Organic compounds Organic acids and derivatives Hydroxy acids and derivatives Beta hydroxy acids and derivatives Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Primary alcohols Alcohol Aliphatic acyclic compound Beta-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Primary alcohol Aliphatic acyclic compounds 3-hydroxyisobutyric acid Solid logp -0.47 ALOGPS logs 0.74 ALOGPS logp -0.26 ChemAxon pka_strongest_acidic 4.37 ChemAxon pka_strongest_basic -2.7 ChemAxon iupac (2S)-3-hydroxy-2-methylpropanoic acid ChemAxon average_mass 104.1045 ChemAxon mono_mass 104.047344122 ChemAxon smiles C[C@@H](CO)C(O)=O ChemAxon formula C4H8O3 ChemAxon inchi InChI=1S/C4H8O3/c1-3(2-5)4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m0/s1 ChemAxon inchikey DBXBTMSZEOQQDU-VKHMYHEASA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 23.62 ChemAxon polarizability 9.98 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge -1 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 2764 Specdb::CMs 37251 Specdb::CMs 149125 Specdb::CMs 1047055 Specdb::CMs 1047057 Specdb::CMs 1047059 Specdb::CMs 1047060 Specdb::CMs 1047062 Specdb::NmrTwoD 930 Specdb::NmrOneD 1037 Specdb::MsIr 106 Specdb::MsIr 107 Specdb::MsIr 108 Specdb::MsMs 42 Specdb::MsMs 43 Specdb::MsMs 44 Specdb::MsMs 178809 Specdb::MsMs 178810 Specdb::MsMs 178811 Specdb::MsMs 181128 Specdb::MsMs 181129 Specdb::MsMs 181130 Specdb::MsMs 2709800 Specdb::MsMs 2709801 Specdb::MsMs 2709802 Specdb::MsMs 2996024 Specdb::MsMs 2996025 Specdb::MsMs 2996026 389707 C06001 FDB021877 440873 37373 CPD-12175 37034 483 Robison, Robert S.; Doremus, Michael G.L-(+)-b-Hydroxyisobutyric acid by fermentation. U.S. (1986), 5 pp. BMDBP00549 3-hydroxyisobutyryl-CoA hydrolase, mitochondrial Q2HJ73 HIBCH Enzyme BMDBP00550 3-hydroxyisobutyrate dehydrogenase, mitochondrial Q2HJD7 HIBADH Enzyme