1.0 2016-10-03 18:32:55 UTC 2020-04-22 15:48:38 UTC BMDB0012131 BMDB12131 (S)-5-Amino-3-oxohexanoate (S)-5-Amino-3-oxohexanoic acid (S)-5-amino-3-oxo-Hexanoic acid (S)-5-amino-3-oxo-Hexanoate 3-keto-5-Aminohexanoate 3-keto-5-Aminohexanoic acid 5-amino-3-Oxohexanoate 5-amino-3-Oxohexanoic acid (S)-5-Amino-3-oxohexanoate 3-oxo-5S-Amino-hexanoate C6H11NO3 145.1564 145.073893223 (5S)-5-amino-3-oxohexanoic acid (S)-5-amino-3-oxohexanoic acid 19355-90-9 C[C@H](N)CC(=O)CC(O)=O InChI=1S/C6H11NO3/c1-4(7)2-5(8)3-6(9)10/h4H,2-3,7H2,1H3,(H,9,10)/t4-/m0/s1 FAASBXNEOGMQHS-BYPYZUCNSA-N belongs to the class of organic compounds known as medium-chain keto acids and derivatives. These are keto acids with a 6 to 12 carbon atoms long side chain. Organic compounds Organic acids and derivatives Keto acids and derivatives Medium-chain keto acids and derivatives Medium-chain keto acids and derivatives 1,3-dicarbonyl compounds Amino acids Amino fatty acids Beta-amino ketones Beta-hydroxy ketones Beta-keto acids and derivatives Carboxylic acids Hydrocarbon derivatives Monoalkylamines Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds 1,3-dicarbonyl compound Aliphatic acyclic compound Amine Amino acid Amino acid or derivatives Amino fatty acid Beta-aminoketone Beta-hydroxy ketone Beta-keto acid Carbonyl group Carboxylic acid Carboxylic acid derivative Fatty acyl Hydrocarbon derivative Ketone Medium-chain keto acid Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine Aliphatic acyclic compounds 3-oxo monocarboxylic acid Oxo fatty acids Oxo fatty acids delta-amino acid Solid logp -2.45 ALOGPS logs -0.35 ALOGPS logp -2.5 ChemAxon pka_strongest_acidic 4.08 ChemAxon pka_strongest_basic 9.89 ChemAxon iupac (5S)-5-amino-3-oxohexanoic acid ChemAxon average_mass 145.1564 ChemAxon mono_mass 145.073893223 ChemAxon smiles C[C@H](N)CC(=O)CC(O)=O ChemAxon formula C6H11NO3 ChemAxon inchi InChI=1S/C6H11NO3/c1-4(7)2-5(8)3-6(9)10/h4H,2-3,7H2,1H3,(H,9,10)/t4-/m0/s1 ChemAxon inchikey FAASBXNEOGMQHS-BYPYZUCNSA-N ChemAxon polar_surface_area 80.39 ChemAxon refractivity 35.02 ChemAxon polarizability 14.24 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 0 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::CMs 21229 Specdb::CMs 39822 Specdb::CMs 161978 Specdb::MsIr 2637 Specdb::MsIr 2638 Specdb::MsIr 2639 Specdb::MsMs 313237 Specdb::MsMs 313238 Specdb::MsMs 313239 Specdb::MsMs 358687 Specdb::MsMs 358688 Specdb::MsMs 358689 Specdb::MsMs 2772887 Specdb::MsMs 2772888 Specdb::MsMs 2772889 Specdb::MsMs 2909783 Specdb::MsMs 2909784 Specdb::MsMs 2909785 Specdb::NmrOneD 95458 Specdb::NmrOneD 95459 Specdb::NmrOneD 95460 Specdb::NmrOneD 95461 Specdb::NmrOneD 95462 Specdb::NmrOneD 95463 Specdb::NmrOneD 95464 Specdb::NmrOneD 95465 Specdb::NmrOneD 95466 Specdb::NmrOneD 95467 Specdb::NmrOneD 95468 Specdb::NmrOneD 95469 Specdb::NmrOneD 95470 Specdb::NmrOneD 95471 Specdb::NmrOneD 95472 Specdb::NmrOneD 95473 Specdb::NmrOneD 95474 Specdb::NmrOneD 95475 Specdb::NmrOneD 95476 Specdb::NmrOneD 95477 C03656 FDB028795 389084 27713 440077 KMH CPD-159