1.0 2016-09-30 22:37:44 UTC 2020-04-22 15:05:40 UTC BMDB0000866 BMDB00866 N-Acetyl-L-tyrosine N-Acetyl-4-hydroxyphenylalanine N-Acetyltyrosine (2S)-2-Acetylamino-3-(4-hydroxyphenyl)propanoate (2S)-2-Acetylamino-3-(4-hydroxyphenyl)propanoic acid L-N-Acetyl-tyrosine L-N-Acetyltyrosine N-Acetyl-tyrosine N-Acetyltyrosine, (DL)-isomer Acetyl-L-tyrosine N-Acetyltyrosine, (D)-isomer C11H13NO4 223.2252 223.084457909 (2S)-2-acetamido-3-(4-hydroxyphenyl)propanoic acid acetyl-L-tyrosine 537-55-3 CC(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O InChI=1S/C11H13NO4/c1-7(13)12-10(11(15)16)6-8-2-4-9(14)5-3-8/h2-5,10,14H,6H2,1H3,(H,12,13)(H,15,16)/t10-/m0/s1 CAHKINHBCWCHCF-JTQLQIEISA-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 Acetamides Amphetamines and derivatives Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives N-acyl-L-alpha-amino acids Organic oxides Organonitrogen compounds Organopnictogen compounds Phenylalanine and derivatives Phenylpropanoic acids Secondary carboxylic acid amides 1-hydroxy-2-unsubstituted benzenoid 3-phenylpropanoic-acid Acetamide Amphetamine or derivatives Aromatic homomonocyclic compound Benzenoid Carbonyl group Carboxamide group Carboxylic acid Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid N-acyl-l-alpha-amino acid Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol Phenylalanine or derivatives Secondary carboxylic acid amide Tyrosine or derivatives Aromatic homomonocyclic compounds L-tyrosine derivative N-acetyl-L-amino acid Solid melting_point 149 - 152 °C water_solubility 297 mg/mL logp 1.03 ALOGPS logs -1.95 ALOGPS logp 0.59 ChemAxon pka_strongest_acidic 3.67 ChemAxon pka_strongest_basic -2 ChemAxon iupac (2S)-2-acetamido-3-(4-hydroxyphenyl)propanoic acid ChemAxon average_mass 223.2252 ChemAxon mono_mass 223.084457909 ChemAxon smiles CC(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O ChemAxon formula C11H13NO4 ChemAxon inchi InChI=1S/C11H13NO4/c1-7(13)12-10(11(15)16)6-8-2-4-9(14)5-3-8/h2-5,10,14H,6H2,1H3,(H,12,13)(H,15,16)/t10-/m0/s1 ChemAxon inchikey CAHKINHBCWCHCF-JTQLQIEISA-N ChemAxon polar_surface_area 86.63 ChemAxon refractivity 56.54 ChemAxon polarizability 22.25 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge -1 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 1516 Specdb::MsMs 1220 Specdb::MsMs 1221 Specdb::MsMs 1222 Specdb::MsMs 247830 Specdb::MsMs 247831 Specdb::MsMs 247832 Specdb::MsMs 267771 Specdb::MsMs 267772 Specdb::MsMs 267773 Specdb::MsMs 2236260 Specdb::MsMs 2237138 Specdb::MsMs 2238397 Specdb::MsMs 2239164 Specdb::MsMs 2240412 Specdb::MsMs 2241312 Specdb::MsMs 2242429 Specdb::MsMs 2243407 Specdb::MsMs 2244861 Specdb::MsMs 2245237 Specdb::MsMs 2247004 Specdb::MsMs 2248734 Specdb::MsMs 2248971 Specdb::MsMs 2249399 Specdb::MsMs 2249631 Specdb::MsMs 2250983 Specdb::CMs 1787 Specdb::CMs 1822 Specdb::CMs 6488 Specdb::CMs 31247 Specdb::CMs 31248 Specdb::CMs 37813 Specdb::CMs 137857 Specdb::CMs 145591 Specdb::CMs 1080429 Specdb::CMs 1080431 Specdb::CMs 1080433 Specdb::CMs 1080434 Specdb::CMs 1080436 Specdb::CMs 1080438 Specdb::CMs 1080440 Specdb::CMs 1080442 Specdb::CMs 1080444 Specdb::CMs 1080445 Specdb::CMs 1080447 Specdb::NmrOneD 1574 Specdb::NmrOneD 20922 Specdb::NmrOneD 20923 Specdb::NmrOneD 20924 Specdb::NmrOneD 20925 Specdb::NmrOneD 20926 Specdb::NmrOneD 20927 Specdb::NmrOneD 20928 Specdb::NmrOneD 20929 Specdb::NmrOneD 20930 Specdb::NmrOneD 20931 Specdb::NmrOneD 20932 Specdb::NmrOneD 20933 Specdb::NmrOneD 20934 Specdb::NmrOneD 20935 Specdb::NmrOneD 20936 Specdb::NmrOneD 20937 Specdb::NmrOneD 20938 Specdb::NmrOneD 20939 Specdb::NmrOneD 20940 Specdb::NmrOneD 20941 FDB022288 DB11102 68310 61606 C01657 21563 N-Acetyl-L-tyrosine Liu, Aifu. Preparation of N-acetyl-L-tyrosine. Faming Zhuanli Shenqing Gongkai Shuomingshu (2005), 5 pp.