1.0 2010-04-08 22:15:10 UTC 2019-11-26 03:19:15 UTC FDB020651 N-Feruloylaspartic acid Constituent of beet (Beta vulgaris). N-Feruloylaspartic acid is found in root vegetables. N-Feruloylaspartic acid C14H15NO7 309.2714 309.084851839 2-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamido]butanedioic acid 2-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamido]butanedioic acid 135068-96-1 COC1=CC(\C=C\C(=O)NC(CC(O)=O)C(O)=O)=CC=C1O InChI=1S/C14H15NO7/c1-22-11-6-8(2-4-10(11)16)3-5-12(17)15-9(14(20)21)7-13(18)19/h2-6,9,16H,7H2,1H3,(H,15,17)(H,18,19)(H,20,21)/b5-3+ SLAOOTKASUKZIE-HWKANZROSA-N belongs to the class of organic compounds known as aspartic acid and derivatives. Aspartic acid and derivatives are compounds containing an aspartic acid or a derivative thereof resulting from reaction of aspartic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Aspartic acid and derivatives Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Anisoles Carbonyl compounds Carboxylic acids Cinnamic acid amides Dicarboxylic acids and derivatives Hydrocarbon derivatives Hydroxycinnamic acids and derivatives Methoxybenzenes Methoxyphenols N-acyl-alpha amino acids Organic oxides Organonitrogen compounds Organopnictogen compounds Phenoxy compounds Secondary carboxylic acid amides Styrenes 1-hydroxy-2-unsubstituted benzenoid Alkyl aryl ether Anisole Aromatic homomonocyclic compound Aspartic acid or derivatives Benzenoid Carbonyl group Carboxamide group Carboxylic acid Cinnamic acid amide Cinnamic acid or derivatives Dicarboxylic acid or derivatives Ether Hydrocarbon derivative Hydroxycinnamic acid or derivatives Methoxybenzene Methoxyphenol Monocyclic benzene moiety N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol Phenol ether Phenoxy compound Secondary carboxylic acid amide Styrene logp 1.15 ALOGPS logs -3.10 ALOGPS solubility 2.46e-01 g/l ALOGPS logp 0.5 ChemAxon pka_strongest_acidic 3.18 ChemAxon pka_strongest_basic 0.69 ChemAxon iupac 2-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamido]butanedioic acid ChemAxon average_mass 309.2714 ChemAxon mono_mass 309.084851839 ChemAxon smiles COC1=CC(\C=C\C(=O)NC(CC(O)=O)C(O)=O)=CC=C1O ChemAxon formula C14H15NO7 ChemAxon inchi InChI=1S/C14H15NO7/c1-22-11-6-8(2-4-10(11)16)3-5-12(17)15-9(14(20)21)7-13(18)19/h2-6,9,16H,7H2,1H3,(H,15,17)(H,18,19)(H,20,21)/b5-3+ ChemAxon inchikey SLAOOTKASUKZIE-HWKANZROSA-N ChemAxon polar_surface_area 133.16 ChemAxon refractivity 74.84 ChemAxon polarizability 29.81 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 7 ChemAxon donor_count 4 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17036 Specdb::CMs 46988 Specdb::CMs 136308 Specdb::CMs 144042 Specdb::MsMs 303718 Specdb::MsMs 303719 Specdb::MsMs 303720 Specdb::MsMs 346717 Specdb::MsMs 346718 Specdb::MsMs 346719 Specdb::MsMs 2272173 Specdb::MsMs 2272174 Specdb::MsMs 2272175 Specdb::MsMs 3069804 Specdb::MsMs 3069805 Specdb::MsMs 3069806 HMDB40830 #<Reference:0x000055ce31e0a100> Root vegetables Unknown generic