1.0 2010-04-08 22:13:50 UTC 2025-11-19 02:12:52 UTC FDB018629 L-Dopaquinone Implicated in food discolouration (enzymatic browning) Dopaquinone; L-form C9H9NO4 195.1721 195.053157781 2-amino-3-(3,4-dioxocyclohexa-1,5-dien-1-yl)propanoic acid 2-amino-3-(3,4-dioxocyclohexa-1,5-dien-1-yl)propanoic acid 328-39-2 NC(CC1=CC(=O)C(=O)C=C1)C(O)=O InChI=1S/C9H9NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6H,3,10H2,(H,13,14) AHMIDUVKSGCHAU-UHFFFAOYSA-N belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). Alpha amino acids Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aliphatic homomonocyclic compounds Amino acids Carboxylic acids Hydrocarbon derivatives Monoalkylamines Monocarboxylic acids and derivatives O-benzoquinones Organic oxides Organopnictogen compounds Aliphatic homomonocyclic compound Alpha-amino acid Amine Amino acid Carbonyl group Carboxylic acid Cyclic ketone Hydrocarbon derivative Ketone Monocarboxylic acid or derivatives O-benzoquinone Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine Quinone logp -1.86 ALOGPS logs -2.09 ALOGPS solubility 1.58e+00 g/l ALOGPS logp -2.1 ChemAxon pka_strongest_acidic 1.87 ChemAxon pka_strongest_basic 9.06 ChemAxon iupac 2-amino-3-(3,4-dioxocyclohexa-1,5-dien-1-yl)propanoic acid ChemAxon average_mass 195.1721 ChemAxon mono_mass 195.053157781 ChemAxon smiles NC(CC1=CC(=O)C(=O)C=C1)C(O)=O ChemAxon formula C9H9NO4 ChemAxon inchi InChI=1S/C9H9NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6H,3,10H2,(H,13,14) ChemAxon inchikey AHMIDUVKSGCHAU-UHFFFAOYSA-N ChemAxon polar_surface_area 97.46 ChemAxon refractivity 49.48 ChemAxon polarizability 18.12 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23883 Specdb::CMs 46266 Specdb::CMs 131534 Specdb::CMs 139268 Specdb::MsMs 10220 Specdb::MsMs 10221 Specdb::MsMs 10222 Specdb::MsMs 16892 Specdb::MsMs 16893 Specdb::MsMs 16894 Specdb::MsMs 2786614 Specdb::MsMs 2786615 Specdb::MsMs 2786616 Specdb::MsMs 2918546 Specdb::MsMs 2918547 Specdb::MsMs 2918548 Specdb::NmrOneD 31242 Specdb::NmrOneD 31243 Specdb::NmrOneD 31244 Specdb::NmrOneD 31245 Specdb::NmrOneD 31246 Specdb::NmrOneD 31247 Specdb::NmrOneD 31248 Specdb::NmrOneD 31249 Specdb::NmrOneD 31250 Specdb::NmrOneD 31251 Specdb::NmrOneD 31252 Specdb::NmrOneD 31253 Specdb::NmrOneD 31254 Specdb::NmrOneD 31255 Specdb::NmrOneD 31256 Specdb::NmrOneD 31257 Specdb::NmrOneD 31258 Specdb::NmrOneD 31259 Specdb::NmrOneD 31260 Specdb::NmrOneD 31261 HMDB39119 #<Reference:0x000055ce31dd2ef8>