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A1CL9

Summary
Name:(1R,2R)-2-(quinolin-6-yl)cyclopentane-1-carboxylic acid
Formula:C15 H15 N O2
Formal charge:0
Formula weight:241.285 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(1R,2R)-2-(quinolin-6-yl)cyclopentane-1-carboxylic acid
OpenEye OEToolkits3.1.0.0(1~{R},2~{R})-2-quinolin-6-ylcyclopentane-1-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C(O)C1CCCC1c1ccc2ncccc2c1
InChIInChI1.06InChI=1S/C15H15NO2/c17-15(18)13-5-1-4-12(13)10-6-7-14-11(9-10)3-2-8-16-14/h2-3,6-9,12-13H,1,4-5H2,(H,17,18)/t12-,13+/m0/s1
InChIKeyInChI1.06YAROMMGQINDDJN-QWHCGFSZSA-N
SMILES_CANONICALCACTVS3.385OC(=O)[C@@H]1CCC[C@H]1c2ccc3ncccc3c2
SMILESCACTVS3.385OC(=O)[CH]1CCC[CH]1c2ccc3ncccc3c2
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1cc2cc(ccc2nc1)[C@@H]3CCC[C@H]3C(=O)O
SMILESOpenEye OEToolkits3.1.0.0c1cc2cc(ccc2nc1)C3CCCC3C(=O)O

251174

PDB entries from 2026-03-25

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