(R,S)-4-PPG   Click here for help

GtoPdb Ligand ID: 1406

Synonyms: (R,S)-4-phosphonophenylglycine | (RS)PPG
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 3
Topological polar surface area 130.66
Molecular weight 231.03
XLogP -3.6
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)C(c1ccc(cc1)P(=O)(O)O)N
Isomeric SMILES OC(=O)C(c1ccc(cc1)P(=O)(O)O)N
InChI InChI=1S/C8H10NO5P/c9-7(8(10)11)5-1-3-6(4-2-5)15(12,13)14/h1-4,7H,9H2,(H,10,11)(H2,12,13,14)
InChI Key JRQRKFDFHAPMGQ-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-amino-2-(4-phosphonophenyl)acetic acid
Synonyms Click here for help
(R,S)-4-phosphonophenylglycine | (RS)PPG
Database Links Click here for help
BindingDB Ligand 50004881
ChEBI CHEBI:126822
ChEMBL Ligand CHEMBL277475
GtoPdb PubChem SID 135650421
PubChem CID 4545574
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Tocris
(RS)-PPG
Cat. No. 1220