1.0 2016-09-30 22:48:04 UTC 2020-04-22 15:08:50 UTC BMDB0001843 BMDB01843 N-Acryloylglycine 1-Aminopropenal acetic acid N-(1-oxo-2-Propenyl)-glycine N-Acryloyl-glycine APAA 2-[(1-Hydroxyprop-2-en-1-ylidene)amino]acetate C5H7NO3 129.114 129.042593095 2-(prop-2-enamido)acetic acid N-acryloylglycine 24599-25-5 OC(=O)CNC(=O)C=C InChI=1S/C5H7NO3/c1-2-4(7)6-3-5(8)9/h2H,1,3H2,(H,6,7)(H,8,9) LZCXCXDOGAEFQX-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 Acrylic acids and derivatives Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Secondary carboxylic acid amides Acrylic acid or derivatives Aliphatic acyclic compound Carbonyl group Carboxamide group Carboxylic acid Hydrocarbon derivative Monocarboxylic acid or derivatives N-acyl-alpha-amino acid Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Secondary carboxylic acid amide Aliphatic acyclic compounds Solid logp -0.28 ALOGPS logs -0.31 ALOGPS logp -0.57 ChemAxon pka_strongest_acidic 3.84 ChemAxon pka_strongest_basic -0.63 ChemAxon iupac 2-(prop-2-enamido)acetic acid ChemAxon average_mass 129.114 ChemAxon mono_mass 129.042593095 ChemAxon smiles OC(=O)CNC(=O)C=C ChemAxon formula C5H7NO3 ChemAxon inchi InChI=1S/C5H7NO3/c1-2-4(7)6-3-5(8)9/h2H,1,3H2,(H,6,7)(H,8,9) ChemAxon inchikey LZCXCXDOGAEFQX-UHFFFAOYSA-N ChemAxon polar_surface_area 66.4 ChemAxon refractivity 30.09 ChemAxon polarizability 11.92 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 15568 Specdb::CMs 38141 Specdb::CMs 170148 Specdb::NmrTwoD 1688 Specdb::MsMs 1693 Specdb::MsMs 1694 Specdb::MsMs 1695 Specdb::MsMs 300478 Specdb::MsMs 300479 Specdb::MsMs 300480 Specdb::MsMs 342751 Specdb::MsMs 342752 Specdb::MsMs 342753 Specdb::MsMs 2792885 Specdb::MsMs 2792886 Specdb::MsMs 2792887 Specdb::MsMs 2916353 Specdb::MsMs 2916354 Specdb::MsMs 2916355 Specdb::MsIr 1361 Specdb::MsIr 1362 Specdb::MsIr 1363 Specdb::NmrOneD 1748 Specdb::NmrOneD 102538 Specdb::NmrOneD 102539 Specdb::NmrOneD 102540 Specdb::NmrOneD 102541 Specdb::NmrOneD 102542 Specdb::NmrOneD 102543 Specdb::NmrOneD 102544 Specdb::NmrOneD 102545 Specdb::NmrOneD 102546 Specdb::NmrOneD 102547 Specdb::NmrOneD 102548 Specdb::NmrOneD 102549 Specdb::NmrOneD 102550 Specdb::NmrOneD 102551 Specdb::NmrOneD 102552 Specdb::NmrOneD 102553 Specdb::NmrOneD 102554 Specdb::NmrOneD 102555 Specdb::NmrOneD 102556 Specdb::NmrOneD 102557 FDB022703 100321 90657 6343