72390 1 2 3 4 5 6 7 8 9 10 11 12 13 14 16 8 8 8 7 6 6 6 6 1 1 1 1 1 1 1 2 2 3 4 5 5 5 6 6 6 7 7 7 8 9 14 8 9 6 8 13 7 9 10 11 12 1 1 1 1 2 2 1 1 1 1 1 1 1 1 6 5 7 9 10 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 5.5929 2.5896 6.853 3.1249 5.0929 4.2839 4.5929 5.9019 3.3328 4.1869 4.6577 3.9864 5.0929 2 1.1191 0.5282 -0.141 -1.1191 -0.4197 0.1681 1.1191 0.1681 -0.141 -0.4443 1.7357 1.248 -1.0397 0.3366 6 6 9 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 158 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0000037180623000400000000000000000000000000160000000000000000000000000000000001E04100800000828C5C004800802C002080800009018000000004000100000818800000200002000200040000016001000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (4R)-2-oxothiazolidine-4-carboxylic acid IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (4R)-2-oxo-4-thiazolidinecarboxylic acid IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (4<I>R</I>)-2-oxo-1,3-thiazolidine-4-carboxylic acid IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (4R)-2-oxo-1,3-thiazolidine-4-carboxylic acid IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (4R)-2-oxidanylidene-1,3-thiazolidine-4-carboxylic acid IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (4R)-2-ketothiazolidine-4-carboxylic acid InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C4H5NO3S/c6-3(7)2-1-9-4(8)5-2/h2H,1H2,(H,5,8)(H,6,7)/t2-/m0/s1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 BMLMGCPTLHPWPY-REOHCLBHSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 -0.1 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 146.99901420 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C4H5NO3S Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 147.15 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1C(NC(=O)S1)C(=O)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1[C@H](NC(=O)S1)C(=O)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 91.7 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 146.99901420 9 1 1 0 0 0 0 0 1 2