(+)-MCPG   Click here for help

GtoPdb Ligand ID: 1373

Synonyms: alpha-Mcpg | alpha-methyl-4-carboxyphenylglycine | alpha-methyl-cpgly
PDB Ligand
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 3
Topological polar surface area 100.62
Molecular weight 209.07
XLogP -1.65
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)c1ccc(cc1)C(C(=O)O)(N)C
Isomeric SMILES OC(=O)c1ccc(cc1)[C@@](C(=O)O)(N)C
InChI InChI=1S/C10H11NO4/c1-10(11,9(14)15)7-4-2-6(3-5-7)8(12)13/h2-5H,11H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1
InChI Key DNCAZYRLRMTVSF-JTQLQIEISA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-[(2S)-2-amino-1-hydroxy-1-oxopropan-2-yl]benzoic acid
Synonyms Click here for help
alpha-Mcpg | alpha-methyl-4-carboxyphenylglycine | alpha-methyl-cpgly
Database Links Click here for help
BindingDB Ligand 50030627
CAS Registry No. 150145-89-4 (source: Scifinder)
ChEBI CHEBI:43876
ChEMBL Ligand CHEMBL257626
GtoPdb PubChem SID 135650572
PubChem CID 446355
RCSB PDB Ligand MCG
Search Google for chemical match using the InChIKey DNCAZYRLRMTVSF-JTQLQIEISA-N
Search Google for chemicals with the same backbone DNCAZYRLRMTVSF
UniChem Compound Search for chemical match using the InChIKey DNCAZYRLRMTVSF-JTQLQIEISA-N
UniChem Connectivity Search for chemical match using the InChIKey DNCAZYRLRMTVSF-JTQLQIEISA-N

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Tocris
(S)-MCPG (links to external site)
Cat. No. 0337