THPG   Click here for help

GtoPdb Ligand ID: 3326

Synonyms: (RS)-3,4,5-trihydroxyphenylglycine
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 5
Rotatable bonds 3
Topological polar surface area 110.02
Molecular weight 199.05
XLogP 0.42
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)CNc1cc(O)c(c(c1)O)O
Isomeric SMILES OC(=O)CNc1cc(O)c(c(c1)O)O
InChI InChI=1S/C8H9NO5/c10-5-1-4(9-3-7(12)13)2-6(11)8(5)14/h1-2,9-11,14H,3H2,(H,12,13)
InChI Key ZXXHFFMAINKZSZ-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-[(3,4,5-trihydroxyphenyl)amino]acetic acid
Synonyms Click here for help
(RS)-3,4,5-trihydroxyphenylglycine
Database Links Click here for help
GtoPdb PubChem SID 178100359
PubChem CID 18941399
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