L-asparagine   

GtoPdb Ligand ID: 4533

Abbreviated name: L-Asn
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 3
Topological polar surface area 106.41
Molecular weight 132.05
XLogP -4.43
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES NC(=O)CC(C(=O)O)N
Isomeric SMILES NC(=O)C[C@@H](C(=O)O)N
InChI InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1
InChI Key DCXYFEDJOCDNAF-REOHCLBHSA-N