L-isoleucine

Ligand id: 3311

Name: L-isoleucine

Abbreviated name: L-Ile

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 63.32
Molecular weight 131.09
XLogP -1.6
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
(2S,3S)-2-Amino-3-methylpentanoic acid
International Nonproprietary Names
INN number INN
6164 isoleucine
Database Links
CAS Registry No. 73-32-5 (source: Scifinder)
ChEBI CHEBI:17191
ChEMBL Ligand CHEMBL1233584
DrugBank Ligand DB00167
PubChem CID 6306
RCSB PDB Ligand ILE
Search Google for chemical match using the InChIKey AGPKZVBTJJNPAG-WHFBIAKZSA-N
Search Google for chemicals with the same backbone AGPKZVBTJJNPAG
Search PubMed clinical trials isoleucine
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Search UniChem for chemical match using the InChIKey AGPKZVBTJJNPAG-WHFBIAKZSA-N
Search UniChem for chemicals with the same backbone AGPKZVBTJJNPAG
Wikipedia Isoleucine