1.0 2016-09-30 22:35:43 UTC 2020-04-22 15:05:03 UTC BMDB0000735 BMDB00735 Hydroxyphenylacetylglycine p-Hydroxyphenylacetylglycine 4-Hydroxyphenylacetylglycine N-[(4-Hydroxyphenyl)acetyl]-glycine N-[(p-Hydroxyphenyl)acetyl]-glycine [[(4-Hydroxyphenyl)acetyl]amino]acetate [[(4-Hydroxyphenyl)acetyl]amino]acetic acid C10H11NO4 209.1986 209.068807845 2-[2-(4-hydroxyphenyl)acetamido]acetic acid p-hydroxyphenylacetylglycine 28116-23-6 OC(=O)CNC(=O)CC1=CC=C(O)C=C1 InChI=1S/C10H11NO4/c12-8-3-1-7(2-4-8)5-9(13)11-6-10(14)15/h1-4,12H,5-6H2,(H,11,13)(H,14,15) CPPDWYIPKSSNNM-UHFFFAOYSA-N belongs to the class of organic compounds known as n-acyl-alpha amino acids. N-acyl-alpha amino acids are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues N-acyl-alpha amino acids 1-hydroxy-2-unsubstituted benzenoids Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Phenylacetamides Secondary carboxylic acid amides 1-hydroxy-2-unsubstituted benzenoid Aromatic homomonocyclic compound Benzenoid Carbonyl group Carboxamide group Carboxylic acid Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety N-acyl-alpha-amino acid Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol Phenylacetamide Secondary carboxylic acid amide Aromatic homomonocyclic compounds N-acylglycine monocarboxylic acid monocarboxylic acid amide Solid logp 0.46 ALOGPS logs -2.02 ALOGPS logp 0.2 ChemAxon pka_strongest_acidic 3.54 ChemAxon pka_strongest_basic -2.9 ChemAxon iupac 2-[2-(4-hydroxyphenyl)acetamido]acetic acid ChemAxon average_mass 209.1986 ChemAxon mono_mass 209.068807845 ChemAxon smiles OC(=O)CNC(=O)CC1=CC=C(O)C=C1 ChemAxon formula C10H11NO4 ChemAxon inchi InChI=1S/C10H11NO4/c12-8-3-1-7(2-4-8)5-9(13)11-6-10(14)15/h1-4,12H,5-6H2,(H,11,13)(H,14,15) ChemAxon inchikey CPPDWYIPKSSNNM-UHFFFAOYSA-N ChemAxon polar_surface_area 86.63 ChemAxon refractivity 52.15 ChemAxon polarizability 20.13 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::NmrOneD 1509 Specdb::NmrTwoD 1455 Specdb::MsIr 808 Specdb::MsIr 809 Specdb::MsIr 810 Specdb::MsMs 1041 Specdb::MsMs 1042 Specdb::MsMs 1043 Specdb::MsMs 324892 Specdb::MsMs 324893 Specdb::MsMs 324894 Specdb::MsMs 373426 Specdb::MsMs 373427 Specdb::MsMs 373428 Specdb::MsMs 2674654 Specdb::MsMs 2674655 Specdb::MsMs 2674656 Specdb::MsMs 3034544 Specdb::MsMs 3034545 Specdb::MsMs 3034546 Specdb::CMs 26560 Specdb::CMs 37732 Specdb::CMs 165045 Specdb::CMs 1073034 Specdb::CMs 1073036 Specdb::CMs 1073038 Specdb::CMs 1073039 Specdb::CMs 1073041 Specdb::CMs 1073043 Specdb::CMs 1073045 Specdb::CMs 1073047 Specdb::CMs 1073048 Specdb::CMs 1073050 Specdb::CMs 1073052 FDB022212 389604 C05596 440732 28595