1.0 2011-09-21 01:37:59 UTC 2015-10-09 22:33:39 UTC FDB028325 Cinnamoylglycine Cinnamoylglycine is known as a urinary metabolite in man (PMID 649712) although whether it is formed de novo from plant cinnamate or is a plant product excreted unchanged has not been conclusively demonstrated. When cinnamoylglycine occurs naturally it is probably a food constituent excreted unchanged. It is not found when small quantities (0.5-6 g) of cinnamic acid are fed to man, but by analogy with animal experiments may be produced when much larger quantities are given. (PMID 6743769) [HMDB] Cinnamoylglycine N-(1-oxo-3-phenyl-2-propen-1-yl)-Glycine N-(1-oxo-3-phenyl-2-propenyl)-Glycine N-cinnamoyl-Glycine N-Cinnamoylglycine N-Cinnamylglycine 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. N-acyl-alpha amino acids Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aromatic homomonocyclic compounds 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 N-acylglycine Solid logp 1.42 ALOGPS logs -2.93 ALOGPS solubility 2.42e-01 g/l 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 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 HMDB11621 #<Reference:0x000055ce315e5240> #<Reference:0x000055ce315e5038> Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823