9815560 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 27 28 29 30 31 32 33 8 8 7 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 3 4 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 10 10 11 11 11 12 12 12 13 13 14 33 14 9 10 32 5 7 8 15 6 9 16 10 17 18 11 19 20 12 21 22 23 24 14 25 13 26 27 13 28 29 30 31 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5 4 6 9 16 3 1 10 3 6 14 25 3 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 27 28 29 30 31 32 33 4.9483 3.5471 2.366 2.866 2.866 3.675 2 3.732 2.057 3.366 2 3.732 2.866 3.9538 2.3291 3.4184 3.985 4.2414 1.788 1.3894 4.3426 3.9441 1.4906 1.747 3.0846 1.3894 1.788 3.9441 4.3426 2.4675 3.2646 2.0016 5.3128 2.1126 3.1307 1.4081 -1.1307 -0.1307 0.4571 -1.6307 -1.6307 0.4571 1.4081 -2.6307 -2.6307 -3.1307 2.2172 -0.8207 -0.4122 -0.0799 0.7093 -1.0481 -1.7384 -1.7384 -1.0481 0.7093 -0.0799 1.9606 -2.523 -3.2133 -3.2133 -2.523 -3.6056 -3.6056 1.9097 2.6142 3 3 5 10 4 14 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 211 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E0723000000000000000000000000000000160000000300000000000000000000000001E00100800000D28C18004000802C0020008000090080000000000000000008188000002001200802004400004100090000198D9F08E80000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-cyclohexylpyrrolidine-2-carboxylic acid IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-cyclohexyl-2-pyrrolidinecarboxylic acid IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-cyclohexylpyrrolidine-2-carboxylic acid IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-cyclohexylpyrrolidine-2-carboxylic acid IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-cyclohexylpyrrolidine-2-carboxylic acid IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-cyclohexylproline InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C11H19NO2/c13-11(14)10-6-9(7-12-10)8-4-2-1-3-5-8/h8-10,12H,1-7H2,(H,13,14) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 XRZWVSXEDRYQGC-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 0.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 197.141578849 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C11H19NO2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 197.27 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CCC(CC1)C2CC(NC2)C(=O)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CCC(CC1)C2CC(NC2)C(=O)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 49.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 197.141578849 14 2 0 2 0 0 0 0 1 -1