1.0 2016-09-30 22:45:56 UTC 2020-04-22 15:08:11 UTC BMDB0001434 BMDB01434 3-Methoxytyrosine 3-Methoxy-tyrosine 3-O-Methyldopa L-3-Methoxy tyrosine L-3-Methoxytyrosine L-4-Hydroxy-3-methoxyphenylalanine Vanilalanine 3-Methoxytyrosine, (L-tyr)-isomer 3-Methoxytyrosine, (D-tyr)-isomer 3-Methoxytyrosine, (L-tyr)-isomer, alpha-(14)C-labeled 3-Methoxytyrosine, (DL-tyr)-isomer 2-Amino-3-(4-hydroxy-3-methoxyphenyl)propanoate 3-O-Methyl-dopa 3-OMD CPD 3-Methoxydopa 3-Methoxytyrosine C10H13NO4 211.2145 211.084457909 2-amino-3-(4-hydroxy-3-methoxyphenyl)propanoic acid 3-O-methyldopa COC1=C(O)C=CC(CC(N)C(O)=O)=C1 InChI=1S/C10H13NO4/c1-15-9-5-6(2-3-8(9)12)4-7(11)10(13)14/h2-3,5,7,12H,4,11H2,1H3,(H,13,14) PFDUUKDQEHURQC-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 Alkyl aryl ethers Alpha amino acids Amino acids Amphetamines and derivatives Anisoles Aralkylamines Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Methoxybenzenes Methoxyphenols Monoalkylamines Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Phenoxy compounds Phenylalanine and derivatives Phenylpropanoic acids 1-hydroxy-2-unsubstituted benzenoid 3-phenylpropanoic-acid Alkyl aryl ether Alpha-amino acid Amine Amino acid Amphetamine or derivatives Anisole Aralkylamine Aromatic homomonocyclic compound Benzenoid Carbonyl group Carboxylic acid Ether Hydrocarbon derivative Methoxybenzene Methoxyphenol Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol Phenol ether Phenoxy compound Phenylalanine or derivatives Primary aliphatic amine Primary amine Tyrosine or derivatives Aromatic homomonocyclic compounds a guaiacol Solid logp -2.09 ALOGPS logs -1.85 ALOGPS logp -1.6 ChemAxon pka_strongest_acidic 1.75 ChemAxon pka_strongest_basic 9.33 ChemAxon iupac 2-amino-3-(4-hydroxy-3-methoxyphenyl)propanoic acid ChemAxon average_mass 211.2145 ChemAxon mono_mass 211.084457909 ChemAxon smiles COC1=C(O)C=CC(CC(N)C(O)=O)=C1 ChemAxon formula C10H13NO4 ChemAxon inchi InChI=1S/C10H13NO4/c1-15-9-5-6(2-3-8(9)12)4-7(11)10(13)14/h2-3,5,7,12H,4,11H2,1H3,(H,13,14) ChemAxon inchikey PFDUUKDQEHURQC-UHFFFAOYSA-N ChemAxon polar_surface_area 92.78 ChemAxon refractivity 53.56 ChemAxon polarizability 21.01 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 5 ChemAxon donor_count 3 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::MsMs 49803 Specdb::MsMs 49804 Specdb::MsMs 49805 Specdb::MsMs 122727 Specdb::MsMs 122728 Specdb::MsMs 122729 Specdb::MsMs 2236611 Specdb::MsMs 2293950 Specdb::MsMs 2293951 Specdb::MsMs 2293952 Specdb::MsMs 2640820 Specdb::MsMs 2640821 Specdb::MsMs 2640822 Specdb::NmrTwoD 1648 Specdb::CMs 13771 Specdb::CMs 38072 Specdb::CMs 115840 Specdb::CMs 146634 Specdb::CMs 996900 Specdb::CMs 996901 Specdb::CMs 996902 Specdb::CMs 996903 Specdb::CMs 996904 Specdb::CMs 996905 Specdb::CMs 996906 Specdb::CMs 996907 Specdb::CMs 996908 Specdb::CMs 996909 Specdb::CMs 996910 Specdb::CMs 996911 Specdb::CMs 996912 Specdb::NmrOneD 1707 Specdb::NmrOneD 147740 Specdb::NmrOneD 147741 Specdb::NmrOneD 147742 Specdb::NmrOneD 147743 Specdb::NmrOneD 147744 Specdb::NmrOneD 147745 Specdb::NmrOneD 147746 Specdb::NmrOneD 147747 Specdb::NmrOneD 147748 Specdb::NmrOneD 147749 Specdb::NmrOneD 147750 Specdb::NmrOneD 147751 Specdb::NmrOneD 147752 Specdb::NmrOneD 147753 Specdb::NmrOneD 147754 Specdb::NmrOneD 147755 Specdb::NmrOneD 147756 Specdb::NmrOneD 147757 Specdb::NmrOneD 147758 Specdb::NmrOneD 147759 1607 FDB022620 Zampella Angela; D'Orsi Rosa; Sepe Valentina; Casapullo Agostino; Monti Maria Chiara; D'Auria Maria Valeria Concise synthesis of all stereoisomers of beta-methoxytyrosine and determination of the absolute configuration of the residue in callipeltin A. Organic letters (2005), 7(16), 3585-8.