2-methyl-3-oxopropanoate   

GtoPdb Ligand ID: 6611

2D Structure
Click here for structure editor
Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 57.2
Molecular weight 101.02
XLogP -0.15
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES O=CC(C(=O)[O-])C
Isomeric SMILES O=CC(C(=O)[O-])C
InChI InChI=1S/C4H6O3/c1-3(2-5)4(6)7/h2-3H,1H3,(H,6,7)/p-1
InChI Key VOKUMXABRRXHAR-UHFFFAOYSA-M
Classification
Compound class Metabolite or derivative
IUPAC Name
2-methyl-3-oxopropanoate
Database Links
ChEBI CHEBI:57700
GtoPdb PubChem SID 178103224
PubChem CID 21917715
Search Google for chemical match using the InChIKey VOKUMXABRRXHAR-UHFFFAOYSA-M
Search Google for chemicals with the same backbone VOKUMXABRRXHAR
Search UniChem for chemical match using the InChIKey VOKUMXABRRXHAR-UHFFFAOYSA-M
Search UniChem for chemicals with the same backbone VOKUMXABRRXHAR