NMDA   

GtoPdb Ligand ID: 4268

Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 4
Topological polar surface area 86.63
Molecular weight 147.05
XLogP -1.15
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CNC(C(=O)O)CC(=O)O
Isomeric SMILES CN[C@@H](C(=O)O)CC(=O)O
InChI InChI=1S/C5H9NO4/c1-6-3(5(9)10)2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10)/t3-/m1/s1
InChI Key HOKKHZGPKSLGJE-GSVOUGTGSA-N
Classification
Compound class Synthetic organic
IUPAC Name
(2R)-2-(methylamino)butanedioic acid
Database Links
CAS Registry No. 6384-92-5 (source: Scifinder)
ChEBI CHEBI:164776
ChEMBL Ligand CHEMBL291278
GtoPdb PubChem SID 178101085
PubChem CID 22880
RCSB PDB Ligand OEM
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