{"ymdb_id":"YMDB01487","created_at":"2011-07-25T20:44:38.000Z","updated_at":"2016-09-08T18:36:44.000Z","name":"2-Hydroxy-2-isopropylbutanedioic acid","cas":"49601-06-1","state":null,"melting_point":null,"description":"2-Hydroxy-2-isopropylbutanedioic acid is a compound produced by various bacteria and yeast.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":"35128","hmdb_id":"HMDB00402","kegg_id":"C02504","pubchem_id":"5280523","cs_id":"4444155","foodb_id":"FDB011983","wikipedia_link":null,"biocyc_id":null,"iupac":"(2S)-2-hydroxy-2-(propan-2-yl)butanedioic acid","traditional_iupac":"2-isopropyl-malic acid","logp":"0.20661967933333347","pka":"5.566000838313116","alogps_solubility":"1.81e+02 g/l","alogps_logp":"-0.29","alogps_logs":"0.01","acceptor_count":"5","donor_count":"3","rotatable_bond_count":"4","polar_surface_area":"94.83","refractivity":"38.5841","polarizability":"16.372264381734986","formal_charge":"0","physiological_charge":"-2","pka_strongest_basic":"-4.140578200901909","pka_strongest_acidic":"3.629835264652623","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["(2S)-2-Hydroxy-2-isopropylsuccinate","(2S)-2-Hydroxy-2-isopropylsuccinic acid","(2S)-2-Isopropylmalate","(2S)-2-Isopropylmalic acid","(3S)-3-Carboxy-3-hydroxy-4-methylpentanoate","(3S)-3-Carboxy-3-hydroxy-4-methylpentanoic acid","(3S)-3-Carboxy-3-hydroxyisocaproate","(3S)-3-Carboxy-3-hydroxyisocaproic acid","(S)-2-Hydroxy-2-(isopropyl)succinate","(S)-2-Hydroxy-2-(isopropyl)succinic acid","2-Hydroxy-2-isopropylsuccinate","2-Hydroxy-2-isopropylsuccinic acid","2-Isopropyl-2-hydroxybutanedioate","2-Isopropyl-2-hydroxybutanedioic acid","2-Isopropyl-malate","2-Isopropylmalate","2-Isopropylmalic acid","3-Carboxy-3-hydroxy-4-methylpentanoate","3-Carboxy-3-hydroxy-4-methylpentanoic acid","3-Carboxy-3-hydroxyisocaproate","3-Carboxy-3-hydroxyisocaproic acid","a-Isopropylmalate","a-Isopropylmalic acid","alpha-Isopropylmalate","alpha-Isopropylmalic acid"],"pathways":[{"name":"Pyruvate metabolism","kegg_map_id":"00620"},{"name":"Leucine Biosynthesis","kegg_map_id":null}],"growth_conditions":[],"references":[{"pubmed_id":null,"citation":"Yannai S. Dictionary of food compounds with CD-ROM: additives, flavors, and ingredients. Chapman \u0026 Hall/CRC; 2004."}],"proteins":[]}