1.0 2010-04-08 22:14:40 UTC 2019-11-26 03:18:00 UTC FDB019904 N-Nitrosothiazolidine-4-carboxylic acid Non-mutagenic contaminant of smoked cured meats. A marker for in vivo N-nitrosations. N-Nitrosothiazolidine-4-carboxylic acid is found in animal foods. 3-Nitroso-(R)-4-thiazolidinecarboxylic acid 4-Thiazolidinecarboxylic acid, 3-nitroso-, (R)- N-nitroso-l-thioproline N-nitrosothioproline C4H6N2O3S 162.167 162.009912758 3-nitroso-1,3-thiazolidine-4-carboxylic acid 3-nitroso-1,3-thiazolidine-4-carboxylic acid 86594-16-3 OC(=O)C1CSCN1N=O InChI=1S/C4H6N2O3S/c7-4(8)3-1-10-2-6(3)5-9/h3H,1-2H2,(H,7,8) LGLMHMRNPVACGS-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. Alpha amino acids and derivatives Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aliphatic heteromonocyclic compounds Azacyclic compounds Carbonyl compounds Carboxylic acids Dialkylthioethers Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic N-nitroso compounds Organic oxides Organopnictogen compounds Thiazolidines Aliphatic heteromonocyclic compound Alpha-amino acid or derivatives Azacycle Carbonyl group Carboxylic acid Dialkylthioether Hydrocarbon derivative Monocarboxylic acid or derivatives Organic n-nitroso compound Organic nitrogen compound Organic nitroso compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Thiazolidine Thioether logp -0.70 ALOGPS logs -1.07 ALOGPS solubility 1.37e+01 g/l ALOGPS melting_point Mp 180° logp -0.16 ChemAxon pka_strongest_acidic 3.5 ChemAxon pka_strongest_basic 2.42 ChemAxon iupac 3-nitroso-1,3-thiazolidine-4-carboxylic acid ChemAxon average_mass 162.167 ChemAxon mono_mass 162.009912758 ChemAxon smiles OC(=O)C1CSCN1N=O ChemAxon formula C4H6N2O3S ChemAxon inchi InChI=1S/C4H6N2O3S/c7-4(8)3-1-10-2-6(3)5-9/h3H,1-2H2,(H,7,8) ChemAxon inchikey LGLMHMRNPVACGS-UHFFFAOYSA-N ChemAxon polar_surface_area 69.97 ChemAxon refractivity 36.18 ChemAxon polarizability 13.86 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 8745 Specdb::MsIr 8746 Specdb::MsIr 8747 Specdb::MsMs 312037 Specdb::MsMs 312038 Specdb::MsMs 312039 Specdb::MsMs 357169 Specdb::MsMs 357170 Specdb::MsMs 357171 Specdb::MsMs 2694168 Specdb::MsMs 2694169 Specdb::MsMs 2694170 Specdb::MsMs 2987237 Specdb::MsMs 2987238 Specdb::MsMs 2987239 Specdb::CMs 20666 Specdb::CMs 46704 Specdb::CMs 116657 Specdb::CMs 134239 Specdb::CMs 141973 Specdb::CMs 940361 Specdb::NmrOneD 38942 Specdb::NmrOneD 38943 Specdb::NmrOneD 38944 Specdb::NmrOneD 38945 Specdb::NmrOneD 38946 Specdb::NmrOneD 38947 Specdb::NmrOneD 38948 Specdb::NmrOneD 38949 Specdb::NmrOneD 38950 Specdb::NmrOneD 38951 Specdb::NmrOneD 38952 Specdb::NmrOneD 38953 Specdb::NmrOneD 38954 Specdb::NmrOneD 38955 Specdb::NmrOneD 38956 Specdb::NmrOneD 38957 Specdb::NmrOneD 38958 Specdb::NmrOneD 38959 Specdb::NmrOneD 38960 Specdb::NmrOneD 38961 HMDB40192 #<Reference:0x000055ce32188840>