2-oxothiazolidine-4-carboxylate   Click here for help

GtoPdb Ligand ID: 4521

Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 94.53
Molecular weight 145.99
XLogP -1.04
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C1SCC(N1)C(=O)[O-]
Isomeric SMILES O=C1SCC(N1)C(=O)[O-]
InChI InChI=1S/C4H5NO3S/c6-3(7)2-1-9-4(8)5-2/h2H,1H2,(H,5,8)(H,6,7)/p-1
InChI Key BMLMGCPTLHPWPY-UHFFFAOYSA-M
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-oxo-1,3-thiazolidine-4-carboxylate
Database Links Click here for help
GtoPdb PubChem SID 178101246
PubChem CID 22476743
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