1.0 2016-06-03 10:52:44 UTC 2026-03-26 20:46:31 UTC metabolite F8 of Benalaxyl-M SmallMolecule Metabolite F8 of Benalaxyl-M is an organic compound with the formula C15H17NO7 and an average molecular weight of 323.30 g/mol. It is categorized as a benzenoid. Metabolite F8 of Benalaxyl-M belongs to the benzoic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. This compound has been identified in drinking water and water supply, specifically within drinking water. The recorded exposure route for this substance is oral. C15H17NO7 323.301 323.100501891 2-[2-carboxy-N-(1-methoxy-1-oxopropan-2-yl)acetamido]-3-methylbenzoic acid 2-[2-carboxy-N-(1-methoxy-1-oxopropan-2-yl)acetamido]-3-methylbenzoic acid COC(=O)C(C)N(C(=O)CC(O)=O)C1=C(C)C=CC=C1C(O)=O InChI=1S/C15H17NO7/c1-8-5-4-6-10(14(20)21)13(8)16(9(2)15(22)23-3)11(17)7-12(18)19/h4-6,9H,7H2,1-3H3,(H,18,19)(H,20,21) LOLLBQOBGKUVRA-UHFFFAOYSA-N Organic compounds Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Acylaminobenzoic acid and derivatives 1,3-dicarbonyl compounds Alanine and derivatives Alpha amino acid esters Anilides Benzoic acids Benzoyl derivatives Carboxylic acids Hydrocarbon derivatives Methyl esters Organic oxides Organonitrogen compounds Organopnictogen compounds Tertiary carboxylic acid amides Toluenes Tricarboxylic acids and derivatives Vinylogous amides 1,3-dicarbonyl compound Acylaminobenzoic acid or derivatives Alanine or derivatives Alpha-amino acid ester Alpha-amino acid or derivatives Anilide Aromatic homomonocyclic compound Benzoic acid Benzoyl Carbonyl group Carboxamide group Carboxylic acid Carboxylic acid derivative Carboxylic acid ester Hydrocarbon derivative Methyl ester Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Tertiary carboxylic acid amide Toluene Tricarboxylic acid or derivatives Vinylogous amide Aromatic homomonocyclic compounds Detected and Not Quantified logp 0.97 ALOGPS logs -3.36 ALOGPS solubility 1.41e-01 g/l ALOGPS logp 1.33 ChemAxon pka_strongest_acidic 3.28 ChemAxon pka_strongest_basic -6.8 ChemAxon iupac 2-[2-carboxy-N-(1-methoxy-1-oxopropan-2-yl)acetamido]-3-methylbenzoic acid ChemAxon average_mass 323.301 ChemAxon mono_mass 323.100501891 ChemAxon smiles COC(=O)C(C)N(C(=O)CC(O)=O)C1=C(C)C=CC=C1C(O)=O ChemAxon formula C15H17NO7 ChemAxon inchi InChI=1S/C15H17NO7/c1-8-5-4-6-10(14(20)21)13(8)16(9(2)15(22)23-3)11(17)7-12(18)19/h4-6,9H,7H2,1-3H3,(H,18,19)(H,20,21) ChemAxon inchikey LOLLBQOBGKUVRA-UHFFFAOYSA-N ChemAxon polar_surface_area 121.21 ChemAxon refractivity 78.03 ChemAxon polarizability 30.33 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 6 ChemAxon donor_count 2 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f726ab446a8> 139595940 95698415