LY367385   Click here for help

GtoPdb Ligand ID: 1379

Synonyms: (+)-2-methyl-4-carboxyphenylglycine | LY 367385 | LY-367385
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 -1.72
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)c1ccc(c(c1)C)C(C(=O)O)N
Isomeric SMILES OC(=O)c1ccc(c(c1)C)[C@@H](C(=O)O)N
InChI InChI=1S/C10H11NO4/c1-5-4-6(9(12)13)2-3-7(5)8(11)10(14)15/h2-4,8H,11H2,1H3,(H,12,13)(H,14,15)/t8-/m0/s1
InChI Key SGIKDIUCJAUSRD-QMMMGPOBSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-[(1S)-1-amino-2-hydroxy-2-oxoethyl]-3-methylbenzoic acid
Synonyms Click here for help
(+)-2-methyl-4-carboxyphenylglycine | LY 367385 | LY-367385
Database Links Click here for help
CAS Registry No. 198419-91-9 (source: Scifinder)
ChEMBL Ligand CHEMBL94631
GtoPdb PubChem SID 135650555
PubChem CID 5311261
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Tocris
LY 367385
Cat. No. 1237