1.0 2016-09-30 22:51:32 UTC 2020-05-21 16:28:59 UTC BMDB0002134 BMDB02134 Aminoacetone 1-Amino-2-propanone 1-AMINO-propan-2-one 1-amino-(8CI,9ci)-2-propanone 1-Aminopropan-2-one alpha-Aminoacetone amino-(6CI)-2-propanone amino-2-Propanone Ammonioacetone C3H7NO 73.0938 73.052763851 1-aminopropan-2-one α-aminoacetone 298-08-8 CC(=O)CN InChI=1S/C3H7NO/c1-3(5)2-4/h2,4H2,1H3 BCDGQXUMWHRQCB-UHFFFAOYSA-N belongs to the class of organic compounds known as alpha-amino ketones. These are ketones containing a carboxylic acid, and an amine group attached to the alpha carbon atom relative to C=O group. Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Alpha-amino ketones Hydrocarbon derivatives Monoalkylamines Organic oxides Organopnictogen compounds Aliphatic acyclic compound Alpha-aminoketone Amine Hydrocarbon derivative Organic nitrogen compound Organic oxide Organonitrogen compound Organopnictogen compound Primary aliphatic amine Primary amine Aliphatic acyclic compounds propanone Solid logp -1.29 ALOGPS logs 0.86 ALOGPS logp -0.82 ChemAxon pka_strongest_acidic 17.3 ChemAxon pka_strongest_basic 7.84 ChemAxon iupac 1-aminopropan-2-one ChemAxon average_mass 73.0938 ChemAxon mono_mass 73.052763851 ChemAxon smiles CC(=O)CN ChemAxon formula C3H7NO ChemAxon inchi InChI=1S/C3H7NO/c1-3(5)2-4/h2,4H2,1H3 ChemAxon inchikey BCDGQXUMWHRQCB-UHFFFAOYSA-N ChemAxon polar_surface_area 43.09 ChemAxon refractivity 19.55 ChemAxon polarizability 7.71 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 1 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 Glycine and Serine Metabolism SMP0087245 Specdb::MsMs 19982 Specdb::MsMs 19983 Specdb::MsMs 19984 Specdb::MsMs 21533 Specdb::MsMs 21534 Specdb::MsMs 21535 Specdb::MsMs 2766047 Specdb::MsMs 2766048 Specdb::MsMs 2766049 Specdb::MsMs 2943166 Specdb::MsMs 2943167 Specdb::MsMs 2943168 Specdb::CMs 3013 Specdb::CMs 170225 Specdb::MsIr 1640 Specdb::MsIr 1641 Specdb::MsIr 1642 Specdb::NmrOneD 109498 Specdb::NmrOneD 109499 Specdb::NmrOneD 109500 Specdb::NmrOneD 109501 Specdb::NmrOneD 109502 Specdb::NmrOneD 109503 Specdb::NmrOneD 109504 Specdb::NmrOneD 109505 Specdb::NmrOneD 109506 Specdb::NmrOneD 109507 Specdb::NmrOneD 109508 Specdb::NmrOneD 109509 Specdb::NmrOneD 109510 Specdb::NmrOneD 109511 Specdb::NmrOneD 109512 Specdb::NmrOneD 109513 Specdb::NmrOneD 109514 Specdb::NmrOneD 109515 Specdb::NmrOneD 109516 Specdb::NmrOneD 109517 Spleen Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 FDB022860 210 215 C01888 17906 38629 1-Amino-2-propanone 6502 Turner, J. M. Aminoacetone production by microorganisms. Biochemical Journal (1966), 98(1), 7P. BMDBP00890 Amine oxidase [flavin-containing] A P21398 MAOA Enzyme