3,5-DHPG   Click here for help

GtoPdb Ligand ID: 1367

Synonyms: 3,5-dihydroxyphenylglycine
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 4
Rotatable bonds 2
Topological polar surface area 103.78
Molecular weight 183.05
XLogP -2.59
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)C(c1cc(O)cc(c1)O)N
Isomeric SMILES OC(=O)C(c1cc(O)cc(c1)O)N
InChI InChI=1S/C8H9NO4/c9-7(8(12)13)4-1-5(10)3-6(11)2-4/h1-3,7,10-11H,9H2,(H,12,13)
InChI Key HOOWCUZPEFNHDT-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-amino-2-(3,5-dihydroxyphenyl)acetic acid
Synonyms Click here for help
3,5-dihydroxyphenylglycine
Database Links Click here for help
CAS Registry No. 146255-66-5 (source: Scifinder)
ChEMBL Ligand CHEMBL66105
GtoPdb PubChem SID 135649729
PubChem CID 108001
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Tocris
(RS)-3,5-DHPG
Cat. No. 0342