3-cyclopropyl-3-[2-(2-oxo-1H-imidazol-3-yl)phenyl]propanoic acid

C15H16N2O3 — CID 117433504

IUPAC3-cyclopropyl-3-[2-(2-oxo-1H-imidazol-3-yl)phenyl]propanoic acid
SMILESO=C(O)CC(c1ccccc1-n1cc[nH]c1=O)C1CC1
InChIInChI=1S/C15H16N2O3/c18-14(19)9-12(10-5-6-10)11-3-1-2-4-13(11)17-8-7-16-15(17)20/h1-4,7-8,10,12H,5-6,9H2,(H,16,20)(H,18,19)
InChIKeyVKTQEWRFTIARMR-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.13
Rot. Bonds5

About 3-cyclopropyl-3-[2-(2-oxo-1H-imidazol-3-yl)phenyl]propanoic acid

3-cyclopropyl-3-[2-(2-oxo-1H-imidazol-3-yl)phenyl]propanoic acid (PubChem CID 117433504) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 3-cyclopropyl-3-[2-(2-oxo-1H-imidazol-3-yl)phenyl]propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-[2-(2-oxo-1H-imidazol-3-yl)phenyl]propanoic acid
PubChem CID117433504
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name3-cyclopropyl-3-[2-(2-oxo-1H-imidazol-3-yl)phenyl]propanoic acid
SMILESO=C(O)CC(c1ccccc1-n1cc[nH]c1=O)C1CC1
InChIInChI=1S/C15H16N2O3/c18-14(19)9-12(10-5-6-10)11-3-1-2-4-13(11)17-8-7-16-15(17)20/h1-4,7-8,10,12H,5-6,9H2,(H,16,20)(H,18,19)
InChIKeyVKTQEWRFTIARMR-UHFFFAOYSA-N
XLogP2.13
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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2-methyl-3-[2-(2-oxo-1H-imidazol-3-yl)phenyl]propanoic acid
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3-[2-(hydroxymethyl)phenyl]-1H-imidazol-2-one
CID 84662478
(3R)-3-cyclopropyl-3-(2-fluoro-3-hydroxyphenyl)propanoic acid
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3-cyclopropyl-3-[2-(1,1-difluoroethyl)phenyl]propanoic acid
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3-cyclopropyl-3-(2-oxo-1,3-dihydroindol-7-yl)propanoic acid
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3-cyclopropyl-3-(1-methylindol-7-yl)propanoic acid
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3-(2-chlorophenyl)-3-cyclohexylpropanoic acid
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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-[2-(2-oxo-1H-imidazol-3-yl)phenyl]propanoic acid?
The IUPAC name of 3-cyclopropyl-3-[2-(2-oxo-1H-imidazol-3-yl)phenyl]propanoic acid (CID 117433504) is 3-cyclopropyl-3-[2-(2-oxo-1H-imidazol-3-yl)phenyl]propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-[2-(2-oxo-1H-imidazol-3-yl)phenyl]propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-[2-(2-oxo-1H-imidazol-3-yl)phenyl]propanoic acid is O=C(O)CC(c1ccccc1-n1cc[nH]c1=O)C1CC1.
What is the InChIKey of 3-cyclopropyl-3-[2-(2-oxo-1H-imidazol-3-yl)phenyl]propanoic acid?
The InChIKey is VKTQEWRFTIARMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c18-14(19)9-12(10-5-6-10)11-3-1-2-4-13(11)17-8-7-16-15(17)20/h1-4,7-8,10,12H,5-6,9H2,(H,16,20)(H,18,19).
What are the key properties of 3-cyclopropyl-3-[2-(2-oxo-1H-imidazol-3-yl)phenyl]propanoic acid?
3-cyclopropyl-3-[2-(2-oxo-1H-imidazol-3-yl)phenyl]propanoic acid has a molecular weight of 272.30 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-[2-(2-oxo-1H-imidazol-3-yl)phenyl]propanoic acid is sourced from PubChem (CID 117433504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).