CACA   Click here for help

GtoPdb Ligand ID: 4148

Synonyms: 4-aminocrotonic acid | cis-aminocrotonic acid
Compound class: Synthetic organic
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 63.32
Molecular weight 101.05
XLogP -0.58
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES NCC=CC(=O)O
Isomeric SMILES NC/C=C\C(=O)O
InChI InChI=1S/C4H7NO2/c5-3-1-2-4(6)7/h1-2H,3,5H2,(H,6,7)/b2-1-
InChI Key FMKJUUQOYOHLTF-UPHRSURJSA-N