(S)-4CPG   Click here for help

GtoPdb Ligand ID: 1418

Synonyms: (S)-4-carboxyphenylglycine
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 195.05
XLogP -2.16
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES NC(c1ccc(cc1)C(=O)O)C(=O)O
Isomeric SMILES N[C@@H](c1ccc(cc1)C(=O)O)C(=O)O
InChI InChI=1S/C9H9NO4/c10-7(9(13)14)5-1-3-6(4-2-5)8(11)12/h1-4,7H,10H2,(H,11,12)(H,13,14)/t7-/m0/s1
InChI Key VTMJKPGFERYGJF-ZETCQYMHSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-[(1S)-1-amino-2-hydroxy-2-oxoethyl]benzoic acid
Synonyms Click here for help
(S)-4-carboxyphenylglycine
Database Links Click here for help
ChEMBL Ligand CHEMBL94990
GtoPdb PubChem SID 135650971
PubChem CID 5311459
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Search UniChem for chemical match using the InChIKey VTMJKPGFERYGJF-ZETCQYMHSA-N
Search UniChem for chemicals with the same backbone VTMJKPGFERYGJF

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