trans-2-methylcrotonic acid

Ligand id: 6499

Name: trans-2-methylcrotonic acid

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 37.3
Molecular weight 100.05
XLogP 0.92
No. Lipinski's rules broken 0

Molecular properties generated using the CDK
Classification
Compound class Synthetic organic
IUPAC Name
2-methylbut-2-enoic acid
Synonyms
tiglic acid
Database Links
CAS Registry No. 80-59-1 (source: Scifinder)
ChEBI CHEBI:9592
ChEMBL Ligand CHEMBL52416
GtoPdb PubChem SID 178103113
PubChem CID 125468
Search Google for chemical match using the InChIKey UIERETOOQGIECD-ONEGZZNKSA-N
Search Google for chemicals with the same backbone UIERETOOQGIECD
Search UniChem for chemical match using the InChIKey UIERETOOQGIECD-ONEGZZNKSA-N
Search UniChem for chemicals with the same backbone UIERETOOQGIECD
Wikipedia Tiglic_acid