24804687 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 16 8 8 7 7 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 4 4 4 5 5 5 6 6 7 7 7 8 8 8 9 9 10 10 10 11 11 6 9 12 26 12 6 7 17 11 24 25 8 13 9 12 14 10 15 16 18 19 11 20 21 22 23 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6 1 4 8 13 3 1 7 4 9 12 14 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 5.5929 2.5896 3.1249 5.0929 9.2903 5.9019 4.2839 6.853 4.5929 7.5961 8.5472 3.3328 5.9989 4.1869 6.5619 7.3415 5.0929 4.6577 3.9864 7.8872 7.1075 8.2561 9.0357 9.8799 9.1614 2 0.9313 0.3404 -1.3069 -0.6075 0.7005 -0.0198 -0.0198 -0.3288 0.9313 0.3404 0.0313 -0.3288 -0.6321 -0.6321 -0.8762 -0.7105 -1.2275 1.5479 1.0602 0.8878 0.7221 -0.5161 -0.3504 0.5089 1.3069 0.1488 3 6 6 7 8 12 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 166 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0633000400000000000000000000000000160000000000000000000000000000000001E04100800000828C5C004800802C00208080000900800000000400010000081880000020000208020044000001000B000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (4R)-2-(3-aminopropyl)thiazolidine-4-carboxylic acid IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (4R)-2-(3-aminopropyl)-4-thiazolidinecarboxylic acid IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (4<I>R</I>)-2-(3-aminopropyl)-1,3-thiazolidine-4-carboxylic acid IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (4R)-2-(3-aminopropyl)-1,3-thiazolidine-4-carboxylic acid IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (4R)-2-(3-azanylpropyl)-1,3-thiazolidine-4-carboxylic acid IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (4R)-2-(3-aminopropyl)thiazolidine-4-carboxylic acid InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C7H14N2O2S/c8-3-1-2-6-9-5(4-12-6)7(10)11/h5-6,9H,1-4,8H2,(H,10,11)/t5-,6?/m0/s1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 HIHAQDKYKHNINS-ZBHICJROSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 -2.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 190.07759887 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C7H14N2O2S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 190.27 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1C(NC(S1)CCCN)C(=O)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1[C@H](NC(S1)CCCN)C(=O)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 101 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 190.07759887 12 2 1 1 0 0 0 0 1 -1