CPPG   Click here for help

GtoPdb Ligand ID: 1413

Synonyms: cyclopropyl-4-phosphonophenylglycine
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 4
Topological polar surface area 130.66
Molecular weight 271.06
XLogP -2.77
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)C(c1ccc(cc1)P(=O)(O)O)(C1CC1)N
Isomeric SMILES OC(=O)C(c1ccc(cc1)P(=O)(O)O)(C1CC1)N
InChI InChI=1S/C11H14NO5P/c12-11(10(13)14,7-1-2-7)8-3-5-9(6-4-8)18(15,16)17/h3-7H,1-2,12H2,(H,13,14)(H2,15,16,17)
InChI Key IGODGTDUQSMDQU-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-amino-2-cyclopropyl-2-(4-phosphonophenyl)acetic acid
Synonyms Click here for help
cyclopropyl-4-phosphonophenylglycine
Database Links Click here for help
CAS Registry No. 183364-82-1 (source: Scifinder)
ChEMBL Ligand CHEMBL164642
GtoPdb PubChem SID 135650134
PubChem CID 2878
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UniChem Compound Search for chemical match using the InChIKey IGODGTDUQSMDQU-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey IGODGTDUQSMDQU-UHFFFAOYSA-N

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Tocris
CPPG
Cat. No. 0972