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ID7

Summary
Name:(3R)-piperidine-3-carboxylic acid
Synonyms:(R)-nipecotic acid
Formula:C6 H11 N O2
Formal charge:0
Formula weight:129.157 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7(3~{R})-piperidine-3-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C6H11NO2/c8-6(9)5-2-1-3-7-4-5/h5,7H,1-4H2,(H,8,9)/t5-/m1/s1
InChIKeyInChI1.06XJLSEXAGTJCILF-RXMQYKEDSA-N
SMILES_CANONICALCACTVS3.385OC(=O)[C@@H]1CCCNC1
SMILESCACTVS3.385OC(=O)[CH]1CCCNC1
SMILES_CANONICALOpenEye OEToolkits2.0.7C1C[C@H](CNC1)C(=O)O
SMILESOpenEye OEToolkits2.0.7C1CC(CNC1)C(=O)O

222415

數據於2024-07-10公開中

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