1.0 2016-09-30 22:33:32 UTC 2020-04-22 15:04:23 UTC BMDB0000609 BMDB00609 DL-Dopa (+-)-3-(3,4-Dihydroxyphenyl)alanine (+-)-Dopa (R,S)-Dopa 3',4'-Dihydroxyphenylalanine 3-Hydroxy-DL-tyrosine 3-Hydroxytyrosine beta-(3,4-Dihydroxyphenyl)-DL-alpha-alanine DL-3,4-Dopa DL-beta-(3,4-Dihydroxyphenyl)-alpha-alanine DL-beta-(3,4-Dihydroxyphenyl)alanine DL-Dihydroxyphenylalanine DL-Dioxyphenylalanine b-(3,4-Dihydroxyphenyl)-DL-a-alanine Β-(3,4-dihydroxyphenyl)-DL-α-alanine DL-b-(3,4-Dihydroxyphenyl)-a-alanine DL-Β-(3,4-dihydroxyphenyl)-α-alanine DL-b-(3,4-Dihydroxyphenyl)alanine DL-Β-(3,4-dihydroxyphenyl)alanine (+/-) 3-(3,4-dihydroxyphenyl)alanine 2-amino-3-(3,4-Dihydroxyphenyl)propanoate 2-amino-3-(3,4-Dihydroxyphenyl)propanoic acid 3,4-Dihydroxy-DL-phenylalanine 3,4-Dihydroxyphenylalanine 3-(3,4-Dihydroxyphenyl)-DL-alanine a-amino-3,4-Dihydroxy-benzenepropanoate a-amino-3,4-Dihydroxy-benzenepropanoic acid alpha-amino-3,4-Dihydroxy-benzenepropanoate alpha-amino-3,4-Dihydroxy-benzenepropanoic acid alpha-amino-Hydrocaffeic acid b-(3,4-Dihydroxyphenyl)-a-alanine beta-(3,4-Dihydroxyphenyl)-alpha-alanine DL-3',4'-Dihydroxyphenylalanine DL-3,4-Dihydroxyphenylalanine DL-3-Hydroxytyrosine DL-4,5-Dihydroxyphenylalanine Dopa 3 Hydroxy DL tyrosine 3,4 Dihydroxyphenylalanine beta-Hydroxytyrosine Dihydroxyphenylalanine hydrochloride, (2:1) beta Hydroxytyrosine Dihydroxyphenylalanine C9H11NO4 197.1879 197.068807845 2-amino-3-(3,4-dihydroxyphenyl)propanoic acid 3',4'-dihydroxyphenylalanine 63-84-3 NC(CC1=CC=C(O)C(O)=C1)C(O)=O InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14) WTDRDQBEARUVNC-UHFFFAOYSA-N belongs to the class of organic compounds known as tyrosine and derivatives. Tyrosine and derivatives are compounds containing tyrosine or a derivative thereof resulting from reaction of tyrosine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Tyrosine and derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alpha amino acids Amino acids Amphetamines and derivatives Aralkylamines Carbonyl compounds Carboxylic acids Catechols Hydrocarbon derivatives Monoalkylamines Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Phenylalanine and derivatives Phenylpropanoic acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3-phenylpropanoic-acid Alpha-amino acid Amine Amino acid Amphetamine or derivatives Aralkylamine Aromatic homomonocyclic compound Benzenoid Carbonyl group Carboxylic acid Catechol Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol Phenylalanine or derivatives Primary aliphatic amine Primary amine Tyrosine or derivatives Aromatic homomonocyclic compounds hydroxyphenylalanine non-proteinogenic alpha-amino acid tyrosine derivative Solid melting_point 270 °C water_solubility 3.6 mg/mL logp -2.32 ALOGPS logs -1.78 ALOGPS logp -1.8 ChemAxon pka_strongest_acidic 1.65 ChemAxon pka_strongest_basic 9.06 ChemAxon iupac 2-amino-3-(3,4-dihydroxyphenyl)propanoic acid ChemAxon average_mass 197.1879 ChemAxon mono_mass 197.068807845 ChemAxon smiles NC(CC1=CC=C(O)C(O)=C1)C(O)=O ChemAxon formula C9H11NO4 ChemAxon inchi InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14) ChemAxon inchikey WTDRDQBEARUVNC-UHFFFAOYSA-N ChemAxon polar_surface_area 103.78 ChemAxon refractivity 49.08 ChemAxon polarizability 19.08 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 5 ChemAxon donor_count 4 ChemAxon physiological_charge 0 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::NmrTwoD 1380 Specdb::NmrOneD 1435 Specdb::NmrOneD 7182 Specdb::NmrOneD 7183 Specdb::NmrOneD 7184 Specdb::NmrOneD 7185 Specdb::NmrOneD 7186 Specdb::NmrOneD 7187 Specdb::NmrOneD 7188 Specdb::NmrOneD 7189 Specdb::NmrOneD 7190 Specdb::NmrOneD 7191 Specdb::NmrOneD 7192 Specdb::NmrOneD 7193 Specdb::NmrOneD 7194 Specdb::NmrOneD 7195 Specdb::NmrOneD 7196 Specdb::NmrOneD 7197 Specdb::NmrOneD 7198 Specdb::NmrOneD 7199 Specdb::NmrOneD 7200 Specdb::NmrOneD 7201 Specdb::MsMs 825 Specdb::MsMs 826 Specdb::MsMs 827 Specdb::MsMs 9338 Specdb::MsMs 9339 Specdb::MsMs 9340 Specdb::MsMs 16010 Specdb::MsMs 16011 Specdb::MsMs 16012 Specdb::MsMs 439515 Specdb::MsMs 439517 Specdb::MsMs 439519 Specdb::MsMs 440046 Specdb::MsMs 449574 Specdb::MsMs 449576 Specdb::MsMs 449578 Specdb::MsMs 451879 Specdb::MsMs 2237368 Specdb::MsMs 2240115 Specdb::MsMs 2241609 Specdb::MsMs 2242208 Specdb::MsMs 2242954 Specdb::MsMs 2243636 Specdb::MsMs 2324977 Specdb::MsMs 2324978 Specdb::EiMs 1023 Specdb::CMs 10666 Specdb::CMs 37648 Specdb::CMs 116217 Specdb::CMs 148047 Specdb::CMs 867671 Specdb::CMs 867672 Specdb::CMs 867673 Specdb::CMs 867674 Specdb::CMs 867675 Specdb::CMs 867676 Specdb::CMs 867677 Specdb::CMs 867678 Specdb::CMs 867679 Specdb::CMs 867680 Specdb::CMs 867681 Specdb::CMs 867682 Specdb::CMs 867683 Specdb::CMs 867684 Specdb::CMs 867685 Specdb::CMs 867686 Specdb::CMs 867687 Specdb::CMs 867688 Specdb::CMs 867689 Specdb::CMs 867690 Specdb::CMs 867691 FDB022140 813 49168 Dihydroxyphenylalanine C00018152