1.0 2016-05-22 04:23:22 UTC 2026-08-19 16:17:34 UTC Amoxicillin SmallMolecule Amoxicillin is an organic compound with the chemical formula C16H19N3O5S and an average molecular weight of 365.40 g/mol. Amoxicillin belongs to the beta lactams, a subclass of lactams within the organic compounds. It is further classified within the superclass of organoheterocyclic compounds. In terms of biological activity, amoxicillin acts as an inhibitor of the protein target penicillin binding protein (PBP1). The compound has been identified in or released from 24 recorded sources. These include healthcare, pharmaceuticals, and veterinary products, specifically antibiotics, penicillins, and drugs for acid related disorders. It is found in aquatic systems and sediments, such as seawater, freshwater, surface water, and groundwater, as well as drinking water and water supply sources including tap water, bottled water, and desalinated water. Additionally, it is present in wastewater, sanitation, and biosolids, including wastewater treatment effluent, industrial wastewater, mine wastewater, and unspecified wastewater. Other recorded sources include marine, shipping, and aquaculture environments, specifically bilge water and ballast water, as well as appliances, HVAC, and refrigerants, such as water heaters and water coolers, along with four more sectors. Recorded exposure routes for amoxicillin include oral, intravenous, inhalation, and touch. PMT Amoxycillin C16H19N3O5S 365.404 365.104541423 (2S,5R,6R)-6-[(2R)-2-amino-2-(4-hydroxyphenyl)acetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid amoxicillin 26787-78-0 [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=C(O)C=C1)C(O)=O InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1 LSQZJLSUYDQPKJ-NJBDSQKTSA-N Organic compounds Organoheterocyclic compounds Lactams Beta lactams Penicillins 1-hydroxy-2-unsubstituted benzenoids Alpha amino acid amides Amino acids Aralkylamines Azacyclic compounds Azetidines Carbonyl compounds Carboxylic acids Dialkylthioethers Hydrocarbon derivatives Monoalkylamines Monocarboxylic acids and derivatives N-acyl-alpha amino acids and derivatives Organic oxides Organopnictogen compounds Phenylacetamides Secondary carboxylic acid amides Tertiary carboxylic acid amides Thiazolidines Thiohemiaminal derivatives 1-hydroxy-2-unsubstituted benzenoid Alpha-amino acid amide Alpha-amino acid or derivatives Amine Amino acid Amino acid or derivatives Aralkylamine Aromatic heteropolycyclic compound Azacycle Azetidine Benzenoid Carbonyl group Carboxamide group Carboxylic acid Carboxylic acid derivative Dialkylthioether Hemithioaminal Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety N-acyl-alpha amino acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Penicillin Phenol Phenylacetamide Primary aliphatic amine Primary amine Secondary carboxylic acid amide Tertiary carboxylic acid amide Thiazolidine Thioether Aromatic heteropolycyclic compounds penicillin Detected and Not Quantified Amoxicillin Drug Metabolism Action Pathway SMP0143484 logp -2.3 logp 0.75 ALOGPS logs -2.58 ALOGPS solubility 9.58e-01 g/l ALOGPS logp -2.3 ChemAxon pka_strongest_acidic 3.23 ChemAxon pka_strongest_basic 7.22 ChemAxon iupac (2S,5R,6R)-6-[(2R)-2-amino-2-(4-hydroxyphenyl)acetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid ChemAxon average_mass 365.404 ChemAxon mono_mass 365.104541423 ChemAxon smiles [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=C(O)C=C1)C(O)=O ChemAxon formula C16H19N3O5S ChemAxon inchi InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1 ChemAxon inchikey LSQZJLSUYDQPKJ-NJBDSQKTSA-N ChemAxon polar_surface_area 132.96 ChemAxon refractivity 89.5 ChemAxon polarizability 35.52 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72277b7a00> DB01060 4663997 2086 BE0009851