L-leucine   

GtoPdb Ligand ID: 3312

Abbreviated name: L-Leu
2D Structure
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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 -1.39
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES NC(C(=O)O)CC(C)C
Isomeric SMILES N[C@H](C(=O)O)CC(C)C
InChI InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1
InChI Key ROHFNLRQFUQHCH-YFKPBYRVSA-N
Classification
Compound class Metabolite or derivative
IUPAC Name
(2S)-2-amino-4-methylpentanoic acid
International Nonproprietary Names
INN number INN
6165 leucine
Database Links
CAS Registry No. 61-90-5 (source: Scifinder)
ChEBI CHEBI:15603
ChEMBL Ligand CHEMBL291962
DrugBank Ligand DB01746
DrugCentral Ligand 1557
GtoPdb PubChem SID 178100346
PubChem CID 6106
RCSB PDB Ligand LEU
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Wikipedia Leucine