ID7

(3R)-piperidine-3-carboxylic acid

Created:	2022-06-27
Last modified:	2023-04-26

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2 entries where ID7 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	20
Chiral Atom Count	1
Bond Count	20
Aromatic Bond Count	0

2D diagram of ID7

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Chemical Component Summary
Name	(3R)-piperidine-3-carboxylic acid
Synonyms	(R)-nipecotic acid
Systematic Name (OpenEye OEToolkits)	(3~{R})-piperidine-3-carboxylic acid
Formula	C₆ H₁₁ N O₂
Molecular Weight	129.157
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	OC(=O)[CH]1CCCNC1
SMILES	OpenEye OEToolkits	2.0.7	C1CC(CNC1)C(=O)O
Canonical SMILES	CACTVS	3.385	OC(=O)[C@@H]1CCCNC1
Canonical SMILES	OpenEye OEToolkits	2.0.7	C1C[C@H](CNC1)C(=O)O
InChI	InChI	1.06	InChI=1S/C6H11NO2/c8-6(9)5-2-1-3-7-4-5/h5,7H,1-4H2,(H,8,9)/t5-/m1/s1
InChIKey	InChI	1.06	XJLSEXAGTJCILF-RXMQYKEDSA-N

Related Resource References

Resource Name	Reference
PubChem	1796509, 1796510
ChEMBL	CHEMBL77575
ChEBI	CHEBI:221278, CHEBI:60120
CCDC/CSD	XECDIT, FOGWEE, YEPQIU, YORJOF, YEPQEQ, YEPQAM, NIPCOT, GUMGAY, KUZGOD

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.