1.0 2010-04-08 22:15:14 UTC 2025-11-19 02:33:32 UTC FDB020748 Polacrilin Ion-exchange resin used in food applications Amberlite IRP 64 C16H19N3O4S 349.405 349.109626801 (2S,5R,6R)-6-[(2R)-2-amino-2-phenylacetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid ampicillin 54182-62-6 [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=CC=C1)C(O)=O InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/t9-,10-,11+,14-/m1/s1 AVKUERGKIZMTKX-NJBDSQKTSA-N belongs to the class of organic compounds known as penicillins. These are organic compounds containing the penicillin core structure, which is structurally characterized by a penam ring bearing two methyl groups at position 2, and an amide group at position 6 [starting from the sulfur atom at position 1]. Penicillins Organic compounds Organoheterocyclic compounds Lactams Beta lactams Aromatic heteropolycyclic compounds 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 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 Phenylacetamide Primary aliphatic amine Primary amine Secondary carboxylic acid amide Tertiary carboxylic acid amide Thiazolidine Thioether beta-lactam antibiotic penams penicillin logp 0.88 ALOGPS logs -2.76 ALOGPS solubility 6.05e-01 g/l ALOGPS logp -2 ChemAxon pka_strongest_acidic 3.24 ChemAxon pka_strongest_basic 7.44 ChemAxon iupac (2S,5R,6R)-6-[(2R)-2-amino-2-phenylacetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid ChemAxon average_mass 349.405 ChemAxon mono_mass 349.109626801 ChemAxon smiles [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=CC=C1)C(O)=O ChemAxon formula C16H19N3O4S ChemAxon inchi InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/t9-,10-,11+,14-/m1/s1 ChemAxon inchikey AVKUERGKIZMTKX-NJBDSQKTSA-N ChemAxon polar_surface_area 112.73 ChemAxon refractivity 87.52 ChemAxon polarizability 34.54 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13111 Specdb::CMs 40354 Specdb::CMs 134528 Specdb::CMs 142262 Specdb::MsMs 100443 Specdb::MsMs 100444 Specdb::MsMs 100445 Specdb::MsMs 165771 Specdb::MsMs 165772 Specdb::MsMs 165773 Specdb::MsMs 445756 Specdb::MsMs 445757 Specdb::MsMs 445758 Specdb::MsMs 445759 Specdb::MsMs 445760 Specdb::MsMs 2227082 Specdb::MsMs 2227651 Specdb::MsMs 2229488 Specdb::MsMs 2229971 Specdb::MsMs 2231955 Specdb::MsMs 2232262 Specdb::MsMs 2234282 Specdb::MsMs 2234645 Specdb::MsMs 2259080 Specdb::MsMs 2750560 Specdb::MsMs 2750561 Specdb::MsMs 2750562 Specdb::MsMs 2927581 Specdb::MsMs 2927582 Specdb::NmrOneD 101058 Specdb::NmrOneD 101059 Specdb::NmrOneD 101060 Specdb::NmrOneD 101061 Specdb::NmrOneD 101062 Specdb::NmrOneD 101063 Specdb::NmrOneD 101064 Specdb::NmrOneD 101065 Specdb::NmrOneD 101066 Specdb::NmrOneD 101067 Specdb::NmrOneD 101068 Specdb::NmrOneD 101069 Specdb::NmrOneD 101070 Specdb::NmrOneD 101071 Specdb::NmrOneD 101072 Specdb::NmrOneD 101073 Specdb::NmrOneD 101074 Specdb::NmrOneD 101075 Specdb::NmrOneD 101076 Specdb::NmrOneD 101077 HMDB0014559