isonipecotic acid

Ligand id: 4227

Name: isonipecotic acid

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 1
Topological polar surface area 49.33
Molecular weight 129.08
XLogP -0.26
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
piperidine-4-carboxylic acid
Database Links
CAS Registry No. 498-94-2 (source: Scifinder)
ChEMBL Ligand CHEMBL279998
PubChem CID 3773
RCSB PDB Ligand MN1
Search Google for chemical match using the InChIKey SRJOCJYGOFTFLH-UHFFFAOYSA-N
Search Google for chemicals with the same backbone SRJOCJYGOFTFLH
Search UniChem for chemical match using the InChIKey SRJOCJYGOFTFLH-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone SRJOCJYGOFTFLH
Wikipedia Isonipecotic_acid