1.0 2016-09-30 22:32:17 UTC 2020-04-22 15:04:01 UTC BMDB0000531 BMDB00531 3-Hydroxyvaleric acid 3-Hydroxy valeric acid 3-Hydroxy-pentanoic acid 3-Hydroxy-valeric acid beta-Hydroxypentanoic acid beta-Hydroxyvaleric acid 3-Hydroxy valerate 3-Hydroxy-pentanoate 3-Hydroxy-valerate b-Hydroxypentanoate b-Hydroxypentanoic acid beta-Hydroxypentanoate Β-hydroxypentanoate Β-hydroxypentanoic acid b-Hydroxyvalerate b-Hydroxyvaleric acid beta-Hydroxyvalerate Β-hydroxyvalerate Β-hydroxyvaleric acid 3-Hydroxyvalerate 3-Hydroxy-N-valerate 3-Hydroxy-N-valeric acid 3-Hydroxypentanoate 3-Hydroxypentanoic acid b-Hydroxy-N-valerate b-Hydroxy-N-valeric acid beta-Hydroxy-N-valerate beta-Hydroxy-N-valeric acid 3-Hydroxyvaleric acid C5H10O3 118.1311 118.062994186 3-hydroxypentanoic acid β-hydroxyvaleric acid 10237-77-1 CCC(O)CC(O)=O InChI=1S/C5H10O3/c1-2-4(6)3-5(7)8/h4,6H,2-3H2,1H3,(H,7,8) REKYPYSUBKSCAT-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 Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Methyl-branched fatty acids Monocarboxylic acids and derivatives Organic oxides Secondary alcohols Short-chain hydroxy acids and derivatives Alcohol Aliphatic acyclic compound Beta-hydroxy acid Branched fatty acid Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Hydroxy acid Hydroxy fatty acid Methyl-branched fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Short-chain hydroxy acid Aliphatic acyclic compounds Hydroxy fatty acids Solid logp 0.04 ALOGPS logs 0.50 ALOGPS logp 0.14 ChemAxon pka_strongest_acidic 4.56 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 3-hydroxypentanoic acid ChemAxon average_mass 118.1311 ChemAxon mono_mass 118.062994186 ChemAxon smiles CCC(O)CC(O)=O ChemAxon formula C5H10O3 ChemAxon inchi InChI=1S/C5H10O3/c1-2-4(6)3-5(7)8/h4,6H,2-3H2,1H3,(H,7,8) ChemAxon inchikey REKYPYSUBKSCAT-UHFFFAOYSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 27.99 ChemAxon polarizability 11.95 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::MsIr 605 Specdb::MsIr 606 Specdb::MsIr 607 Specdb::MsMs 107904 Specdb::MsMs 107905 Specdb::MsMs 107906 Specdb::MsMs 174999 Specdb::MsMs 175000 Specdb::MsMs 175001 Specdb::MsMs 2233717 Specdb::MsMs 2235246 Specdb::MsMs 3042613 Specdb::MsMs 3042614 Specdb::MsMs 3042615 Specdb::MsMs 3097144 Specdb::MsMs 3097145 Specdb::MsMs 3097146 Specdb::CMs 24419 Specdb::CMs 37601 Specdb::CMs 147857 Specdb::CMs 1065128 Specdb::CMs 1065130 Specdb::CMs 1065131 Specdb::CMs 1065133 Specdb::CMs 1065135 FDB022099 96952 107802 139272 3-Hydroxypentanoic_acid 5516 Manufacture of b-hydroxyvaleric acid. Jpn. Kokai Tokkyo Koho (1982), 3 pp.