55287183 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 16 8 8 7 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 2 2 3 4 4 4 5 5 5 6 6 7 7 8 8 8 6 7 9 18 9 5 7 12 6 9 10 8 11 13 14 15 16 17 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 5 4 6 9 10 1 1 6 1 8 5 11 2 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 5.0576 2.5896 2.0544 4.5576 3.7486 4.0576 5.3667 3.4699 2.7976 3.6516 4.3391 4.5576 5.6767 5.9331 3.9714 3.1054 2.9683 2 0.8104 -1.4278 0.2195 -0.7284 -0.1407 0.8104 -0.1407 1.6194 -0.4497 -0.753 1.3628 -1.3484 -0.6776 0.1115 1.9838 2.121 1.255 -1.6194 6 6 5 6 9 8 0 Compound Canonicalized 5 2011.09.13 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 128 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0623000400000000000000000000000000160000000000000000000000000000000001E04100800000828C5C004820802C002080800009008000000004000100000818800000200102000200440000410001000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (4R,5S)-5-methylthiazolidine-4-carboxylic acid IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (4R,5S)-5-methyl-4-thiazolidinecarboxylic acid IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (4<I>R</I>,5<I>S</I>)-5-methyl-1,3-thiazolidine-4-carboxylic acid IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (4R,5S)-5-methyl-1,3-thiazolidine-4-carboxylic acid IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (4R,5S)-5-methyl-1,3-thiazolidine-4-carboxylic acid IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (4R,5S)-5-methylthiazolidine-4-carboxylic acid InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C5H9NO2S/c1-3-4(5(7)8)6-2-9-3/h3-4,6H,2H2,1H3,(H,7,8)/t3-,4-/m0/s1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 UTNNVDJFXMLWDF-IMJSIDKUSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 -1.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 147.03539970 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C5H9NO2S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 147.20 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1C(NCS1)C(=O)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C[C@H]1[C@H](NCS1)C(=O)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 74.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 147.03539970 9 2 2 0 0 0 0 0 1 -1