1.0 2011-09-21 01:54:54 UTC 2017-04-03 04:56:45 UTC FDB029381 Tyrosinamide Tyrosinamide is a simple mimic of Tyrosine, an amino acid essential to the catalytic activity of several enzymes of pharmaceutical interest, such as in the polypeptide chain of topoisomerases and other tyrosine dependent enzymes. [HMDB] 2-amino-3-(4-hydroxyphenyl)propanamide L-Tyrosinamide L-Tyrosine amide Tyrosinamide Tyrosine amide C9H12N2O2 180.2038 180.089877638 2-amino-3-(4-hydroxyphenyl)propanamide 2-amino-3-(4-hydroxyphenyl)propanamide 4985-46-0 NC(CC1=CC=C(O)C=C1)C(N)=O InChI=1S/C9H12N2O2/c10-8(9(11)13)5-6-1-3-7(12)4-2-6/h1-4,8,12H,5,10H2,(H2,11,13) PQFMNVGMJJMLAE-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. Tyrosine and derivatives Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Alpha amino acid amides Amphetamines and derivatives Aralkylamines Carbonyl compounds Fatty amides Hydrocarbon derivatives Monoalkylamines Organic oxides Organopnictogen compounds Phenylalanine and derivatives Primary carboxylic acid amides 1-hydroxy-2-unsubstituted benzenoid Alpha-amino acid amide Amine Amphetamine or derivatives Aralkylamine Aromatic homomonocyclic compound Benzenoid Carbonyl group Carboxamide group Fatty acyl Fatty amide Hydrocarbon derivative 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 Primary carboxylic acid amide Tyrosine or derivatives Solid logp -0.65 ALOGPS logs -1.78 ALOGPS solubility 2.98e+00 g/l ALOGPS logp -0.19 ChemAxon pka_strongest_acidic 9.52 ChemAxon pka_strongest_basic 8.03 ChemAxon iupac 2-amino-3-(4-hydroxyphenyl)propanamide ChemAxon average_mass 180.2038 ChemAxon mono_mass 180.089877638 ChemAxon smiles NC(CC1=CC=C(O)C=C1)C(N)=O ChemAxon formula C9H12N2O2 ChemAxon inchi InChI=1S/C9H12N2O2/c10-8(9(11)13)5-6-1-3-7(12)4-2-6/h1-4,8,12H,5,10H2,(H2,11,13) ChemAxon inchikey PQFMNVGMJJMLAE-UHFFFAOYSA-N ChemAxon polar_surface_area 89.34 ChemAxon refractivity 48.92 ChemAxon polarizability 18.56 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 3 ChemAxon donor_count 3 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 2907 Specdb::MsIr 2908 Specdb::MsIr 2909 Specdb::CMs 25079 Specdb::CMs 40117 Specdb::CMs 128116 Specdb::CMs 159605 Specdb::CMs 919943 Specdb::CMs 919944 Specdb::CMs 919945 Specdb::CMs 919946 Specdb::CMs 919947 Specdb::MsMs 321586 Specdb::MsMs 321587 Specdb::MsMs 321588 Specdb::MsMs 369241 Specdb::MsMs 369242 Specdb::MsMs 369243 Specdb::MsMs 2471184 Specdb::MsMs 2471185 Specdb::MsMs 2471186 Specdb::MsMs 2493902 Specdb::MsMs 2493903 Specdb::MsMs 2493904 Specdb::NmrOneD 99498 Specdb::NmrOneD 99499 Specdb::NmrOneD 99500 Specdb::NmrOneD 99501 Specdb::NmrOneD 99502 Specdb::NmrOneD 99503 Specdb::NmrOneD 99504 Specdb::NmrOneD 99505 Specdb::NmrOneD 99506 Specdb::NmrOneD 99507 Specdb::NmrOneD 99508 Specdb::NmrOneD 99509 Specdb::NmrOneD 99510 Specdb::NmrOneD 99511 Specdb::NmrOneD 99512 Specdb::NmrOneD 99513 Specdb::NmrOneD 99514 Specdb::NmrOneD 99515 Specdb::NmrOneD 99516 Specdb::NmrOneD 99517 HMDB13319