1.0 2020-04-03 16:42:12 UTC 2025-11-19 03:08:13 UTC FDB098185 N-(2-Oxohexanoyl)homoserine lactone C6H8O7 192.1235 192.02700261 2-oxo-N-[(3S)-2-oxooxolan-3-yl]hexanamide 2-oxo-N-[(3S)-2-oxooxolan-3-yl]hexanamide [H][C@@](O)(C(O)=O)[C@@]1([H])OC(=O)[C@]([H])(O)[C@@]1([H])O InChI=1S/C6H8O7/c7-1-2(8)6(12)13-4(1)3(9)5(10)11/h1-4,7-9H,(H,10,11)/t1-,2-,3+,4+/m1/s1 XECPAIJNBXCOBO-MMPJQOAZSA-N belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. N-acyl-alpha amino acids and derivatives are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom. N-acyl-alpha amino acids and derivatives Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aliphatic heteromonocyclic compounds Acyl-L-homoserine lactones Alpha amino acid esters Carboxylic acid esters Gamma butyrolactones Hydrocarbon derivatives Ketones Monocarboxylic acids and derivatives N-acyl amines Organic oxides Organonitrogen compounds Oxacyclic compounds Oxolanes Secondary carboxylic acid amides Acyl-homoserine lactone Acyl-l-homoserine lactone Aliphatic heteromonocyclic compound Alpha-amino acid ester Carbonyl group Carboxamide group Carboxylic acid ester Fatty acyl Fatty amide Gamma butyrolactone Hydrocarbon derivative Ketone Lactone Monocarboxylic acid or derivatives N-acyl-alpha amino acid or derivatives N-acyl-amine Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Oxacycle Oxolane Secondary carboxylic acid amide logp 0.51 ALOGPS logs -1.21 ALOGPS solubility 1.32e+01 g/l ALOGPS logp 0.8 ChemAxon pka_strongest_acidic 11.61 ChemAxon pka_strongest_basic -3.2 ChemAxon iupac 2-oxo-N-[(3S)-2-oxooxolan-3-yl]hexanamide ChemAxon average_mass 192.1235 ChemAxon mono_mass 192.02700261 ChemAxon smiles [H][C@@](O)(C(O)=O)[C@@]1([H])OC(=O)[C@]([H])(O)[C@@]1([H])O ChemAxon formula C6H8O7 ChemAxon inchi InChI=1S/C6H8O7/c7-1-2(8)6(12)13-4(1)3(9)5(10)11/h1-4,7-9H,(H,10,11)/t1-,2-,3+,4+/m1/s1 ChemAxon inchikey XECPAIJNBXCOBO-MMPJQOAZSA-N ChemAxon polar_surface_area 72.47 ChemAxon refractivity 52.03 ChemAxon polarizability 21.73 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 1218598 Specdb::MsMs 1218599 Specdb::MsMs 1218600 Specdb::MsMs 1334311 Specdb::MsMs 1334312 Specdb::MsMs 1334313 Specdb::CMs 1541 Specdb::CMs 1544 Specdb::CMs 1556 Specdb::CMs 1613 Milk (Cow) Type 2 specific