{"ymdb_id":"YMDB15933","created_at":"2016-08-03T23:49:13.000Z","updated_at":"2016-09-12T20:57:14.000Z","name":"2-Methylbutanoic acid","cas":null,"state":"Solid","melting_point":null,"description":"2-Methylbutanoic acid belongs to the class of chemical entities known as methyl-branched fatty acids. These are fatty acids with an acyl chain that has a methyl branch. Usually, they are saturated and contain only one or more methyl group. However, branches other than methyl may be present.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":null,"cs_id":null,"foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"2-methylbutanoic acid","traditional_iupac":"(+-)-2-methylbutyrate","logp":"1.464745076","pka":null,"alogps_solubility":"5.72e+01 g/l","alogps_logp":"1.47","alogps_logs":"-0.25","acceptor_count":"2","donor_count":"1","rotatable_bond_count":"2","polar_surface_area":"37.3","refractivity":"26.446099999999998","polarizability":"10.98492198543893","formal_charge":"0","physiological_charge":"-1","pka_strongest_basic":null,"pka_strongest_acidic":"4.969194504225091","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":[],"pathways":[],"growth_conditions":[],"references":[{"pubmed_id":19845354,"citation":"Robinson AL, Ebeler SE, Heymann H, Boss PK, Solomon PS, Trengove RD. (2009). \"Interactions between wine volatile compounds and grape and wine matrix components influence aroma compound headspace partitioning.\" J Agric Food Chem. 2009 Nov 11;57(21):10313-22."}],"proteins":[]}