homo-AMPA   Click here for help

GtoPdb Ligand ID: 3359

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 4
Hydrogen bond donors 3
Rotatable bonds 4
Topological polar surface area 109.32
Molecular weight 200.08
XLogP -3.08
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES OC(=O)C(CCc1c(C)o[nH]c1=O)N
Isomeric SMILES OC(=O)C(CCc1c(C)o[nH]c1=O)N
InChI InChI=1S/C8H12N2O4/c1-4-5(7(11)10-14-4)2-3-6(9)8(12)13/h6H,2-3,9H2,1H3,(H,10,11)(H,12,13)
InChI Key NZDIZJGEDFARSV-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-amino-4-(5-methyl-3-oxo-2,3-dihydro-1,2-oxazol-4-yl)butanoic acid
Database Links Click here for help
CAS Registry No. 179169-88-1 (source: Scifinder)
ChEMBL Ligand CHEMBL107768
GtoPdb PubChem SID 178100385
PubChem CID 4236420
Search Google for chemical match using the InChIKey NZDIZJGEDFARSV-UHFFFAOYSA-N
Search Google for chemicals with the same backbone NZDIZJGEDFARSV
Search UniChem for chemical match using the InChIKey NZDIZJGEDFARSV-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone NZDIZJGEDFARSV