5-Me-IAA   

GtoPdb Ligand ID: 4107

Synonyms: 5-methy-1H-imidazole-4-acetic acid
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 65.98
Molecular weight 140.06
XLogP 0.38
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES Cc1nc[nH]c1CC(=O)O
Isomeric SMILES Cc1nc[nH]c1CC(=O)O
InChI InChI=1S/C6H8N2O2/c1-4-5(2-6(9)10)8-3-7-4/h3H,2H2,1H3,(H,7,8)(H,9,10)
InChI Key BINCHKHDIQXADS-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
2-(4-methyl-1H-imidazol-5-yl)acetic acid
Synonyms
5-methy-1H-imidazole-4-acetic acid
Database Links
ChEMBL Ligand CHEMBL243929
GtoPdb PubChem SID 178100929
PubChem CID 22359367
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