3-cyclopropyl-3-[4-(3,5-dimethyl-2-oxoimidazol-1-yl)phenyl]propanoic acid

C17H20N2O3 — CID 117484147

IUPAC3-cyclopropyl-3-[4-(3,5-dimethyl-2-oxoimidazol-1-yl)phenyl]propanoic acid
SMILESCc1cn(C)c(=O)n1-c1ccc(C(CC(=O)O)C2CC2)cc1
InChIInChI=1S/C17H20N2O3/c1-11-10-18(2)17(22)19(11)14-7-5-13(6-8-14)15(9-16(20)21)12-3-4-12/h5-8,10,12,15H,3-4,9H2,1-2H3,(H,20,21)
InChIKeyLZVMYIQHMVLKJE-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.45
Rot. Bonds5

About 3-cyclopropyl-3-[4-(3,5-dimethyl-2-oxoimidazol-1-yl)phenyl]propanoic acid

3-cyclopropyl-3-[4-(3,5-dimethyl-2-oxoimidazol-1-yl)phenyl]propanoic acid (PubChem CID 117484147) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-cyclopropyl-3-[4-(3,5-dimethyl-2-oxoimidazol-1-yl)phenyl]propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-[4-(3,5-dimethyl-2-oxoimidazol-1-yl)phenyl]propanoic acid
PubChem CID117484147
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name3-cyclopropyl-3-[4-(3,5-dimethyl-2-oxoimidazol-1-yl)phenyl]propanoic acid
SMILESCc1cn(C)c(=O)n1-c1ccc(C(CC(=O)O)C2CC2)cc1
InChIInChI=1S/C17H20N2O3/c1-11-10-18(2)17(22)19(11)14-7-5-13(6-8-14)15(9-16(20)21)12-3-4-12/h5-8,10,12,15H,3-4,9H2,1-2H3,(H,20,21)
InChIKeyLZVMYIQHMVLKJE-UHFFFAOYSA-N
XLogP2.45
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopropyl-3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanoic acid
CID 82124113
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CID 19938398
3-cyclopropyl-3-(4-hydroxy-3-methylphenyl)propanoic acid
CID 117314089
3-[4-[1-hydroxy-2-(methylamino)ethyl]phenyl]-1,4-dimethylimidazol-2-one
CID 117407626
3-cyclopropyl-3-(6-methyl-3-pyridinyl)propanoic acid
CID 83819863
3-cyclopropyl-3-(4-fluoro-3-propan-2-ylphenyl)propanoic acid
CID 117379319
3-[4-(5-chloropyrazol-1-yl)phenyl]-3-cyclopropylpropanoic acid
CID 117469780
(3R)-3-cyclohexyl-3-(4-fluorophenyl)propanoic acid
CID 51711852
5-(2-carboxy-1-cyclopropylethyl)-2-methylbenzoic acid
CID 117373279
3-(3-chloro-4-methylphenyl)-3-cyclopropylpropanoic acid
CID 83824648
3-cyclopropyl-3-[4-(4,4-dimethylcyclohexyl)phenyl]propanoic acid
CID 117484279
3-cyclopropyl-3-(3-fluoro-4-methylsulfanylphenyl)propanoic acid
CID 117389246

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-[4-(3,5-dimethyl-2-oxoimidazol-1-yl)phenyl]propanoic acid?
The IUPAC name of 3-cyclopropyl-3-[4-(3,5-dimethyl-2-oxoimidazol-1-yl)phenyl]propanoic acid (CID 117484147) is 3-cyclopropyl-3-[4-(3,5-dimethyl-2-oxoimidazol-1-yl)phenyl]propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-[4-(3,5-dimethyl-2-oxoimidazol-1-yl)phenyl]propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-[4-(3,5-dimethyl-2-oxoimidazol-1-yl)phenyl]propanoic acid is Cc1cn(C)c(=O)n1-c1ccc(C(CC(=O)O)C2CC2)cc1.
What is the InChIKey of 3-cyclopropyl-3-[4-(3,5-dimethyl-2-oxoimidazol-1-yl)phenyl]propanoic acid?
The InChIKey is LZVMYIQHMVLKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-11-10-18(2)17(22)19(11)14-7-5-13(6-8-14)15(9-16(20)21)12-3-4-12/h5-8,10,12,15H,3-4,9H2,1-2H3,(H,20,21).
What are the key properties of 3-cyclopropyl-3-[4-(3,5-dimethyl-2-oxoimidazol-1-yl)phenyl]propanoic acid?
3-cyclopropyl-3-[4-(3,5-dimethyl-2-oxoimidazol-1-yl)phenyl]propanoic acid has a molecular weight of 300.36 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-[4-(3,5-dimethyl-2-oxoimidazol-1-yl)phenyl]propanoic acid is sourced from PubChem (CID 117484147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).