L-proline   Click here for help

GtoPdb Ligand ID: 3314

Abbreviated name: L-Pro
PDB Ligand
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 1
Topological polar surface area 49.33
Molecular weight 115.06
XLogP -0.18
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)C1CCCN1
Isomeric SMILES OC(=O)[C@@H]1CCCN1
InChI InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1
InChI Key ONIBWKKTOPOVIA-BYPYZUCNSA-N
Classification Click here for help
Compound class Metabolite or derivative
IUPAC Name Click here for help
(2S)-pyrrolidine-2-carboxylic acid
International Nonproprietary Names Click here for help
INN number INN
6169 proline
Database Links Click here for help
CAS Registry No. 147-85-3 (source: Scifinder)
ChEBI CHEBI:17203
ChEMBL Ligand CHEMBL54922
DrugBank Ligand DB00172
DrugCentral Ligand 4125
GtoPdb PubChem SID 178100348
PubChem CID 145742
RCSB PDB Ligand PRO
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Wikipedia Proline