3-[1-(4-methoxyphenyl)imidazol-4-yl]propanoic acid

C13H14N2O3 — CID 82479273

IUPAC3-[1-(4-methoxyphenyl)imidazol-4-yl]propanoic acid
SMILESCOc1ccc(-n2cnc(CCC(=O)O)c2)cc1
InChIInChI=1S/C13H14N2O3/c1-18-12-5-3-11(4-6-12)15-8-10(14-9-15)2-7-13(16)17/h3-6,8-9H,2,7H2,1H3,(H,16,17)
InChIKeyLIPVWGGRKBPVJF-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.90
Rot. Bonds5

About 3-[1-(4-methoxyphenyl)imidazol-4-yl]propanoic acid

3-[1-(4-methoxyphenyl)imidazol-4-yl]propanoic acid (PubChem CID 82479273) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 3-[1-(4-methoxyphenyl)imidazol-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(4-methoxyphenyl)imidazol-4-yl]propanoic acid
PubChem CID82479273
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name3-[1-(4-methoxyphenyl)imidazol-4-yl]propanoic acid
SMILESCOc1ccc(-n2cnc(CCC(=O)O)c2)cc1
InChIInChI=1S/C13H14N2O3/c1-18-12-5-3-11(4-6-12)15-8-10(14-9-15)2-7-13(16)17/h3-6,8-9H,2,7H2,1H3,(H,16,17)
InChIKeyLIPVWGGRKBPVJF-UHFFFAOYSA-N
XLogP1.90
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-methoxyphenyl)imidazol-4-yl]propanoic acid?
The IUPAC name of 3-[1-(4-methoxyphenyl)imidazol-4-yl]propanoic acid (CID 82479273) is 3-[1-(4-methoxyphenyl)imidazol-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-(4-methoxyphenyl)imidazol-4-yl]propanoic acid?
The canonical SMILES for 3-[1-(4-methoxyphenyl)imidazol-4-yl]propanoic acid is COc1ccc(-n2cnc(CCC(=O)O)c2)cc1.
What is the InChIKey of 3-[1-(4-methoxyphenyl)imidazol-4-yl]propanoic acid?
The InChIKey is LIPVWGGRKBPVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-18-12-5-3-11(4-6-12)15-8-10(14-9-15)2-7-13(16)17/h3-6,8-9H,2,7H2,1H3,(H,16,17).
What are the key properties of 3-[1-(4-methoxyphenyl)imidazol-4-yl]propanoic acid?
3-[1-(4-methoxyphenyl)imidazol-4-yl]propanoic acid has a molecular weight of 246.27 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-methoxyphenyl)imidazol-4-yl]propanoic acid is sourced from PubChem (CID 82479273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).