[3H]D-aspartic acid   

GtoPdb Ligand ID: 4698

Synonyms: [3H]-D-aspartate | [3H]-D-aspartic acid
   
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 3
Topological polar surface area 100.62
Molecular weight 133.04
XLogP -3.71
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OC(=O)CC(C(=O)O)N
Isomeric SMILES OC(=O)C[C@H](C(=O)O)N
InChI InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m1/s1
InChI Key CKLJMWTZIZZHCS-UWTATZPHSA-N
Classification
Compound class Synthetic organic
IUPAC Name
(2R)-2-aminobutanedioic acid
Synonyms
[3H]-D-aspartate | [3H]-D-aspartic acid
Database Links
ChEMBL Ligand CHEMBL29757
GtoPdb PubChem SID 178101410
PubChem CID 83887
RCSB PDB Ligand DAS
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Tocris
D-Aspartic acid
Cat. No. 0213