{"ymdb_id":"YMDB01587","created_at":"2011-08-31T03:25:17.000Z","updated_at":"2016-09-08T18:36:52.000Z","name":"2-Methylbutyric acid","cas":"116-53-0","state":"Solid","melting_point":null,"description":"2-Methylbutyric acid is a carboxylic acid.","experimental_water_solubility":"45 mg/mL at 20 oC [RIEMENSCHNEIDER,W (1986)]","experimental_logp_hydrophobicity":"1.18 [HANSCH,C ET AL. (1995)]","location":null,"synthesis_reference":null,"chebi_id":"37070","hmdb_id":"HMDB02176","kegg_id":"C18319","pubchem_id":"8314","cs_id":"8012","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":["(+/-)-2-methylbutyrate","(+/-)-2-methylbutyric acid","2-Ethylpropionate","2-Ethylpropionic acid","2-Methybutyrate","2-Methybutyric acid","2-Methyl butyrate","2-Methyl butyric acid","2-Methylbutanoate","2-Methylbutanoic acid","2-Methylbutyrate","2-Methylbutyrate, (+-)-isomer","2-Methylbutyrate, sodium salt","2-Methylbutyric acid","a-Methyl butyrate","a-Methyl butyric acid","a-Methylbutyrate","a-Methylbutyric acid","alpha-Methyl butyrate","alpha-Methylbutyrate","alpha-Methylbutyric acid","Butane-2-carboxylate","Butane-2-carboxylic acid","D-2-Methyl butyrate","D-2-Methyl butyric acid","DL-2-Methy butyrate","DL-2-Methy butyric acid","DL-2-Methylbutyrate","DL-2-Methylbutyric acid","Ethylmethylacetate","Ethylmethylacetic acid","Methylethylacetate","Methylethylacetic acid","RS-2-Methylbutyrate","α-methyl butyrate","α-methyl butyric acid","α-methylbutyrate","α-methylbutyric acid"],"pathways":[],"growth_conditions":[],"references":[{"pubmed_id":17616208,"citation":"Loscos, N., Hernandez-Orte, P., Cacho, J., Ferreira, V. (2007). \"Release and formation of varietal aroma compounds during alcoholic fermentation from nonfloral grape odorless flavor precursors fractions.\" J Agric Food Chem 55:6674-6684."}],"proteins":[]}