1.0 2016-10-03 18:35:15 UTC 2020-04-22 15:49:23 UTC BMDB0012265 BMDB12265 N-Carbamoylsarcosine Carbamoyl sarcosine Carbamoyl-sarcosine CMS [Carbamoyl(methyl)amino]acetic acid C4H8N2O3 132.1179 132.053492132 2-[(C-hydroxycarbonimidoyl)(methyl)amino]acetic acid [C-hydroxycarbonimidoyl(methyl)amino]acetic acid CN(CC(O)=O)C(O)=N InChI=1S/C4H8N2O3/c1-6(4(5)9)2-3(7)8/h2H2,1H3,(H2,5,9)(H,7,8) SREKYKXYSQMOIB-UHFFFAOYSA-N belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Alpha amino acids and derivatives Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Ureas Aliphatic acyclic compound Alpha-amino acid or derivatives Carbonic acid derivative Carbonyl group Carboxylic acid Hydrocarbon derivative Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Urea Aliphatic acyclic compounds glycine derivative Solid logp -1.20 ALOGPS logs -1.54 ALOGPS logp -2.1 ChemAxon pka_strongest_acidic 2.64 ChemAxon pka_strongest_basic 9.38 ChemAxon iupac 2-[(C-hydroxycarbonimidoyl)(methyl)amino]acetic acid ChemAxon average_mass 132.1179 ChemAxon mono_mass 132.053492132 ChemAxon smiles CN(CC(O)=O)C(O)=N ChemAxon formula C4H8N2O3 ChemAxon inchi InChI=1S/C4H8N2O3/c1-6(4(5)9)2-3(7)8/h2H2,1H3,(H2,5,9)(H,7,8) ChemAxon inchikey SREKYKXYSQMOIB-UHFFFAOYSA-N ChemAxon polar_surface_area 84.62 ChemAxon refractivity 40.36 ChemAxon polarizability 11.78 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 5 ChemAxon donor_count 3 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 29057 Specdb::MsMs 29058 Specdb::MsMs 29059 Specdb::MsMs 35615 Specdb::MsMs 35616 Specdb::MsMs 35617 Specdb::MsMs 2820225 Specdb::MsMs 2820226 Specdb::MsMs 2820227 Specdb::MsMs 2857959 Specdb::MsMs 2857960 Specdb::MsMs 2857961 Specdb::CMs 39888 Specdb::CMs 71108 Specdb::CMs 131328 Specdb::CMs 139062 Specdb::MsIr 2744 Specdb::MsIr 2745 Specdb::MsIr 2746 Specdb::NmrOneD 96798 Specdb::NmrOneD 96799 Specdb::NmrOneD 96800 Specdb::NmrOneD 96801 Specdb::NmrOneD 96802 Specdb::NmrOneD 96803 Specdb::NmrOneD 96804 Specdb::NmrOneD 96805 Specdb::NmrOneD 96806 Specdb::NmrOneD 96807 Specdb::NmrOneD 96808 Specdb::NmrOneD 96809 Specdb::NmrOneD 96810 Specdb::NmrOneD 96811 Specdb::NmrOneD 96812 Specdb::NmrOneD 96813 Specdb::NmrOneD 96814 Specdb::NmrOneD 96815 Specdb::NmrOneD 96816 Specdb::NmrOneD 96817 388495 FDB028903 439375 C01043 15737 CARBAMOYL-SARCOSINE