s-allylglycine   

GtoPdb Ligand ID: 5267

2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 63.32
Molecular weight 115.06
XLogP -2.26
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES NC(C(=O)O)CC=C
Isomeric SMILES N[C@H](C(=O)O)CC=C
InChI InChI=1S/C5H9NO2/c1-2-3-4(6)5(7)8/h2,4H,1,3,6H2,(H,7,8)/t4-/m0/s1
InChI Key WNNNWFKQCKFSDK-BYPYZUCNSA-N
Classification
Compound class Metabolite or derivative
IUPAC Name
(2S)-2-aminopent-4-enoic acid
Database Links
CAS Registry No. 16338-48-0
ChEMBL Ligand CHEMBL1229875
GtoPdb PubChem SID 178101950
PubChem CID 167529
RCSB PDB Ligand 2AG
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Wikipedia Allylglycine