(S)-3HPG   Click here for help

GtoPdb Ligand ID: 1366

Synonyms: 3-hydroxyphenylglycine
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 3
Rotatable bonds 2
Topological polar surface area 83.55
Molecular weight 167.06
XLogP -2.18
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)C(c1cccc(c1)O)N
Isomeric SMILES OC(=O)[C@H](c1cccc(c1)O)N
InChI InChI=1S/C8H9NO3/c9-7(8(11)12)5-2-1-3-6(10)4-5/h1-4,7,10H,9H2,(H,11,12)/t7-/m0/s1
InChI Key DQLYTFPAEVJTFM-ZETCQYMHSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(2S)-2-amino-2-(3-hydroxyphenyl)acetic acid
Synonyms Click here for help
3-hydroxyphenylglycine
Database Links Click here for help
BindingDB Ligand 50053589
CAS Registry No. 71301-82-1 (source: Scifinder)
ChEMBL Ligand CHEMBL442347
GtoPdb PubChem SID 135650424
PubChem CID 6604712
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Search UniChem for chemical match using the InChIKey DQLYTFPAEVJTFM-ZETCQYMHSA-N
Search UniChem for chemicals with the same backbone DQLYTFPAEVJTFM

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