propargylglycine   

GtoPdb Ligand ID: 5247

Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 49.33
Molecular weight 113.05
XLogP -0.53
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES C#CCNCC(=O)O
Isomeric SMILES C#CCNCC(=O)O
InChI InChI=1S/C5H7NO2/c1-2-3-6-4-5(7)8/h1,6H,3-4H2,(H,7,8)
InChI Key XSJLQGMTIHCDSS-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
2-[(prop-2-yn-1-yl)amino]acetic acid
Database Links
CAS Registry No. 58160-95-5
ChEMBL Ligand CHEMBL1993296
GtoPdb PubChem SID 178101931
PubChem CID 185909
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