1.0 2016-10-03 18:21:33 UTC 2020-04-22 15:45:32 UTC BMDB0011602 BMDB11602 3-Oxoalanine alpha-Formylglycine C(alpha)-Formylglycine C-Formylglycine FGly a-Formylglycine Α-formylglycine C(a)-Formylglycine C(Α)-formylglycine 2-amino-3-oxo-Propanoate 2-amino-3-oxo-Propanoic acid 2-Formylglycine 3-oxo-(9CI)-alanine amino-(8CI)malonaldehydic acid L-alpha-Formylglycine 2-amino-3-Oxopropanoic acid 3-oxo-L-Alanine C3H5NO3 103.0767 103.026943031 2-amino-3-oxopropanoic acid α-formylglycine 5735-66-0 NC(C=O)C(O)=O InChI=1S/C3H5NO3/c4-2(1-5)3(6)7/h1-2H,4H2,(H,6,7) XMTCKNXTTXDPJX-UHFFFAOYSA-N belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Alpha amino acids 1,3-dicarbonyl compounds Aldehydes Amino acids Carboxylic acids Hydrocarbon derivatives Monoalkylamines Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds 1,3-dicarbonyl compound Aldehyde Aliphatic acyclic compound Alpha-amino acid Amine Amino acid Carbonyl group Carboxylic acid Hydrocarbon derivative Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine Aliphatic acyclic compounds alanine derivative non-proteinogenic alpha-amino acid Solid logp -2.78 ALOGPS logs 0.37 ALOGPS logp -3.6 ChemAxon pka_strongest_acidic 1.66 ChemAxon pka_strongest_basic 7.18 ChemAxon iupac 2-amino-3-oxopropanoic acid ChemAxon average_mass 103.0767 ChemAxon mono_mass 103.026943031 ChemAxon smiles NC(C=O)C(O)=O ChemAxon formula C3H5NO3 ChemAxon inchi InChI=1S/C3H5NO3/c4-2(1-5)3(6)7/h1-2H,4H2,(H,6,7) ChemAxon inchikey XMTCKNXTTXDPJX-UHFFFAOYSA-N ChemAxon polar_surface_area 80.39 ChemAxon refractivity 21.06 ChemAxon polarizability 8.59 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 0 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::MsMs 311059 Specdb::MsMs 311060 Specdb::MsMs 311061 Specdb::MsMs 355948 Specdb::MsMs 355949 Specdb::MsMs 355950 Specdb::MsMs 2291469 Specdb::MsMs 2291470 Specdb::MsMs 2291471 Specdb::MsMs 2643660 Specdb::MsMs 2643661 Specdb::MsMs 2643662 Specdb::MsIr 2525 Specdb::MsIr 2526 Specdb::MsIr 2527 Specdb::CMs 20226 Specdb::CMs 39716 Specdb::CMs 171717 Specdb::NmrOneD 93392 Specdb::NmrOneD 93393 Specdb::NmrOneD 93394 Specdb::NmrOneD 93395 Specdb::NmrOneD 93396 Specdb::NmrOneD 93397 Specdb::NmrOneD 93398 Specdb::NmrOneD 93399 Specdb::NmrOneD 93400 Specdb::NmrOneD 93401 Specdb::NmrOneD 93402 Specdb::NmrOneD 93403 Specdb::NmrOneD 93404 Specdb::NmrOneD 93405 Specdb::NmrOneD 93406 Specdb::NmrOneD 93407 Specdb::NmrOneD 93408 Specdb::NmrOneD 93409 Specdb::NmrOneD 93410 Specdb::NmrOneD 93411 FDB028313 28 29 17740