1.0 2010-04-08 22:09:44 UTC 2019-11-26 03:05:08 UTC FDB011614 3-(Carboxymethylamino)propanoic acid Isolated from Phaseolus radiatus variety typicus. 3-(Carboxymethylamino)propanoic acid is found in pulses. Iminopropionicacetic acid N-(Carboxyethyl)glycine N-(carboxymethyl)--alanine N-(Carboxymethyl)-b-alanine, 9CI C5H9NO4 147.1293 147.053157781 3-[(carboxymethyl)amino]propanoic acid β-alanine, N-(carboxymethyl)- 505-72-6 OC(=O)CCNCC(O)=O InChI=1S/C5H9NO4/c7-4(8)1-2-6-3-5(9)10/h6H,1-3H2,(H,7,8)(H,9,10) GAUBNQMYYJLWNF-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). Alpha amino acids Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aliphatic acyclic compounds Amino acids Carbonyl compounds Carboxylic acids Dialkylamines Dicarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organopnictogen compounds Aliphatic acyclic compound Alpha-amino acid Amine Amino acid Carbonyl group Carboxylic acid Dicarboxylic acid or derivatives Hydrocarbon derivative Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Secondary aliphatic amine Secondary amine logp -2.79 ALOGPS logs -0.73 ALOGPS solubility 2.73e+01 g/l ALOGPS melting_point Mp 195-198 (191-192°)° dec. logp -3.6 ChemAxon pka_strongest_acidic 1.5 ChemAxon pka_strongest_basic 10.33 ChemAxon iupac 3-[(carboxymethyl)amino]propanoic acid ChemAxon average_mass 147.1293 ChemAxon mono_mass 147.053157781 ChemAxon smiles OC(=O)CCNCC(O)=O ChemAxon formula C5H9NO4 ChemAxon inchi InChI=1S/C5H9NO4/c7-4(8)1-2-6-3-5(9)10/h6H,1-3H2,(H,7,8)(H,9,10) ChemAxon inchikey GAUBNQMYYJLWNF-UHFFFAOYSA-N ChemAxon polar_surface_area 86.63 ChemAxon refractivity 31.56 ChemAxon polarizability 13.45 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 6136 Specdb::MsIr 6137 Specdb::MsIr 6138 Specdb::MsMs 9029 Specdb::MsMs 9030 Specdb::MsMs 9031 Specdb::MsMs 15701 Specdb::MsMs 15702 Specdb::MsMs 15703 Specdb::MsMs 2315579 Specdb::MsMs 2315580 Specdb::MsMs 2315581 Specdb::MsMs 2622611 Specdb::MsMs 2622612 Specdb::MsMs 2622613 Specdb::CMs 21169 Specdb::CMs 43355 Specdb::CMs 135759 Specdb::CMs 143493 Specdb::NmrOneD 120518 Specdb::NmrOneD 120519 Specdb::NmrOneD 120520 Specdb::NmrOneD 120521 Specdb::NmrOneD 120522 Specdb::NmrOneD 120523 Specdb::NmrOneD 120524 Specdb::NmrOneD 120525 Specdb::NmrOneD 120526 Specdb::NmrOneD 120527 Specdb::NmrOneD 120528 Specdb::NmrOneD 120529 Specdb::NmrOneD 120530 Specdb::NmrOneD 120531 Specdb::NmrOneD 120532 Specdb::NmrOneD 120533 Specdb::NmrOneD 120534 Specdb::NmrOneD 120535 Specdb::NmrOneD 120536 Specdb::NmrOneD 120537 HMDB33550 #<Reference:0x000055ce316fef50> Pulses Unknown generic