1.0 2016-10-03 18:21:50 UTC 2020-04-22 15:45:38 UTC BMDB0011621 BMDB11621 Cinnamoylglycine N-(1-oxo-3-Phenyl-2-propenyl)-glycine N-Cinnamylglycine N-(1-oxo-3-Phenyl-2-propen-1-yl)-glycine N-Cinnamoyl-glycine N-Cinnamoylglycine Cinnamoylglycine C11H11NO3 205.2099 205.073893223 2-[(2E)-3-phenylprop-2-enamido]acetic acid [(2E)-3-phenylprop-2-enamido]acetic acid 16534-24-0 OC(=O)CNC(=O)\C=C\C1=CC=CC=C1 InChI=1S/C11H11NO3/c13-10(12-8-11(14)15)7-6-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,13)(H,14,15)/b7-6+ YAADMLWHGMUGQL-VOTSOKGWSA-N belongs to the class of organic compounds known as n-acyl-alpha amino acids. N-acyl-alpha amino acids are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues N-acyl-alpha amino acids Carbonyl compounds Carboxylic acids Cinnamic acid amides Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Secondary carboxylic acid amides Styrenes Aromatic homomonocyclic compound Benzenoid Carbonyl group Carboxamide group Carboxylic acid Cinnamic acid amide Cinnamic acid or derivatives Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety N-acyl-alpha-amino acid Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Secondary carboxylic acid amide Styrene Aromatic homomonocyclic compounds N-acylglycine Solid logp 1.42 ALOGPS logs -2.93 ALOGPS logp 1.03 ChemAxon pka_strongest_acidic 3.9 ChemAxon pka_strongest_basic -0.71 ChemAxon iupac 2-[(2E)-3-phenylprop-2-enamido]acetic acid ChemAxon average_mass 205.2099 ChemAxon mono_mass 205.073893223 ChemAxon smiles OC(=O)CNC(=O)\C=C\C1=CC=CC=C1 ChemAxon formula C11H11NO3 ChemAxon inchi InChI=1S/C11H11NO3/c13-10(12-8-11(14)15)7-6-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,13)(H,14,15)/b7-6+ ChemAxon inchikey YAADMLWHGMUGQL-VOTSOKGWSA-N ChemAxon polar_surface_area 66.4 ChemAxon refractivity 55.86 ChemAxon polarizability 21.16 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsIr 2536 Specdb::MsIr 2537 Specdb::MsIr 2538 Specdb::CMs 1800 Specdb::CMs 1858 Specdb::CMs 18854 Specdb::CMs 31551 Specdb::CMs 31552 Specdb::CMs 39724 Specdb::CMs 137873 Specdb::CMs 145607 Specdb::MsMs 307888 Specdb::MsMs 307889 Specdb::MsMs 307890 Specdb::MsMs 351937 Specdb::MsMs 351938 Specdb::MsMs 351939 Specdb::MsMs 439627 Specdb::MsMs 439628 Specdb::MsMs 439951 Specdb::MsMs 449716 Specdb::MsMs 449717 Specdb::MsMs 449718 Specdb::MsMs 449719 Specdb::MsMs 449720 Specdb::MsMs 449721 Specdb::MsMs 2242561 Specdb::MsMs 2243302 Specdb::MsMs 2244709 Specdb::MsMs 2244824 Specdb::MsMs 2245316 Specdb::MsMs 2245430 Specdb::MsMs 2246756 Specdb::MsMs 2246913 Specdb::MsMs 2247347 Specdb::MsMs 2247505 Specdb::NmrOneD 262708 Specdb::NmrOneD 262709 Specdb::NmrOneD 262710 Specdb::NmrOneD 262711 Specdb::NmrOneD 262712 Specdb::NmrOneD 262713 Specdb::NmrOneD 262714 Specdb::NmrOneD 262715 Specdb::NmrOneD 262716 Specdb::NmrOneD 262717 Specdb::NmrOneD 262718 Specdb::NmrOneD 262719 Specdb::NmrOneD 262720 Specdb::NmrOneD 262721 Specdb::NmrOneD 262722 Specdb::NmrOneD 262723 Specdb::NmrOneD 262724 Specdb::NmrOneD 262725 Specdb::NmrOneD 262726 Specdb::NmrOneD 262727 FDB028325 618829 709625 68616