4-trimethylammoniobutanal

Ligand id: 6604

Name: 4-trimethylammoniobutanal

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 17.07
Molecular weight 130.12
XLogP 0.18
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
trimethyl-(4-oxobutyl)azanium
Database Links
CAS Registry No. 64595-66-0 (source: Scifinder)
ChEBI CHEBI:18020
PubChem CID 133
RCSB PDB Ligand 2ZO
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