1.0 2016-09-30 22:49:53 UTC 2020-04-22 15:09:22 UTC BMDB0002011 BMDB02011 4-Hydroxyisovaleric acid 4-Hydroxyisovalerate 4-Hydroxyisopentanoate 4-Hydroxyisopentanoic acid 4-Hydroxy-isovalerate 4-Hydroxyisovaleric acid C5H10O3 118.1311 118.062994186 4-hydroxy-3-methylbutanoic acid 4-hydroxyisopentanoate 77220-86-1 CC(CO)CC(O)=O InChI=1S/C5H10O3/c1-4(3-6)2-5(7)8/h4,6H,2-3H2,1H3,(H,7,8) ZGYGEPZZMAXSKH-UHFFFAOYSA-N belongs to the class of organic compounds known as hydroxy fatty acids. These are fatty acids in which the chain bears a hydroxyl group. Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Hydroxy fatty acids Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Methyl-branched fatty acids Monocarboxylic acids and derivatives Organic oxides Primary alcohols Short-chain hydroxy acids and derivatives Alcohol Aliphatic acyclic compound Branched fatty acid Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Hydroxy fatty acid Methyl-branched fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Primary alcohol Short-chain hydroxy acid Aliphatic acyclic compounds Hydroxy fatty acids Solid logp -0.09 ALOGPS logs 0.37 ALOGPS logp -0.15 ChemAxon pka_strongest_acidic 4.59 ChemAxon pka_strongest_basic -2.6 ChemAxon iupac 4-hydroxy-3-methylbutanoic acid ChemAxon average_mass 118.1311 ChemAxon mono_mass 118.062994186 ChemAxon smiles CC(CO)CC(O)=O ChemAxon formula C5H10O3 ChemAxon inchi InChI=1S/C5H10O3/c1-4(3-6)2-5(7)8/h4,6H,2-3H2,1H3,(H,7,8) ChemAxon inchikey ZGYGEPZZMAXSKH-UHFFFAOYSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 28.27 ChemAxon polarizability 11.91 ChemAxon rotatable_bond_count 3 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 Specdb::CMs 23155 Specdb::CMs 38222 Specdb::CMs 167590 Specdb::MsIr 1523 Specdb::MsIr 1524 Specdb::MsIr 1525 Specdb::MsMs 93258 Specdb::MsMs 93259 Specdb::MsMs 93260 Specdb::MsMs 156996 Specdb::MsMs 156997 Specdb::MsMs 156998 Specdb::MsMs 2273790 Specdb::MsMs 2273791 Specdb::MsMs 2273792 Specdb::MsMs 3091208 Specdb::MsMs 3091209 Specdb::MsMs 3091210 FDB022793 116413 384411 131760 Beta-Hydroxy beta-methylbutyric acid 6434