4-aminobutanal

Ligand id: 6606

Name: 4-aminobutanal

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 43.09
Molecular weight 87.07
XLogP -0.25
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
4-aminobutanal
Database Links
CAS Registry No. 4390-05-0 (source: Scifinder)
ChEBI CHEBI:17769
ChEMBL Ligand CHEMBL2261442
Human Metabolome Database HMDB01080
PubChem CID 118
Search Google for chemical match using the InChIKey DZQLQEYLEYWJIB-UHFFFAOYSA-N
Search Google for chemicals with the same backbone DZQLQEYLEYWJIB