1.02010-04-08 22:04:33 UTC2020-02-24 19:10:07 UTCFDB000420N-Phenylacetylaspartic acidConstituent of pea (Pisum sativum). N-Phenylacetylaspartic acid is found in pulses and common pea.N-Phenylacetylaspartic acidC12H13NO5251.2353251.0793725312-(2-phenylacetamido)butanedioic acid2-(2-phenylacetamido)butanedioic acid2752-32-1OC(=O)CC(NC(=O)CC1=CC=CC=C1)C(O)=OInChI=1S/C12H13NO5/c14-10(6-8-4-2-1-3-5-8)13-9(12(17)18)7-11(15)16/h1-5,9H,6-7H2,(H,13,14)(H,15,16)(H,17,18)SVFKZPQPMMZHLZ-UHFFFAOYSA-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 derivativesOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analoguesAromatic homomonocyclic compoundsCarbonyl compoundsCarboxylic acidsDicarboxylic acids and derivativesHydrocarbon derivativesN-acyl-alpha amino acidsOrganic oxidesOrganonitrogen compoundsOrganopnictogen compoundsPhenylacetamidesSecondary carboxylic acid amidesAromatic homomonocyclic compoundAspartic acid or derivativesBenzenoidCarbonyl groupCarboxamide groupCarboxylic acidDicarboxylic acid or derivativesHydrocarbon derivativeMonocyclic benzene moietyN-acyl-alpha amino acid or derivativesN-acyl-alpha-amino acidOrganic nitrogen compoundOrganic oxideOrganic oxygen compoundOrganonitrogen compoundOrganooxygen compoundOrganopnictogen compoundPhenylacetamideSecondary carboxylic acid amidelogp0.46logs-2.22solubility1.50e+00 g/lmelting_point136logp0.43pka_strongest_acidic3.67pka_strongest_basic-2.6iupac2-(2-phenylacetamido)butanedioic acidaverage_mass251.2353mono_mass251.079372531smilesOC(=O)CC(NC(=O)CC1=CC=CC=C1)C(O)=OformulaC12H13NO5inchiInChI=1S/C12H13NO5/c14-10(6-8-4-2-1-3-5-8)13-9(12(17)18)7-11(15)16/h1-5,9H,6-7H2,(H,13,14)(H,15,16)(H,17,18)inchikeySVFKZPQPMMZHLZ-UHFFFAOYSA-Npolar_surface_area103.7refractivity60.7polarizability24.2rotatable_bond_count6acceptor_count5donor_count3physiological_charge-2formal_charge0Specdb::CMs16151Specdb::CMs41298Specdb::CMs173676Specdb::MsMs49230Specdb::MsMs49231Specdb::MsMs49232Specdb::MsMs164679Specdb::MsMs164680Specdb::MsMs164681Specdb::MsMs2254705Specdb::MsMs2446138Specdb::MsMs2446139Specdb::MsMs2446140Specdb::MsMs2515848Specdb::MsMs2515849Specdb::MsMs2515850HMDB29355#<Reference:0x00005556735e97b8>Common peaType 1specificPisum sativum3888PulsesUnknowngeneric