3-methyl-3-[4-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]butanoic acid

C17H24N2O3 — CID 117489746

IUPAC3-methyl-3-[4-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]butanoic acid
SMILESCC(C)N1CCN(c2ccc(C(C)(C)CC(=O)O)cc2)C1=O
InChIInChI=1S/C17H24N2O3/c1-12(2)18-9-10-19(16(18)22)14-7-5-13(6-8-14)17(3,4)11-15(20)21/h5-8,12H,9-11H2,1-4H3,(H,20,21)
InChIKeyBGJZODWMLIJUTJ-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.09
Rot. Bonds5

About 3-methyl-3-[4-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]butanoic acid

3-methyl-3-[4-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]butanoic acid (PubChem CID 117489746) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 3-methyl-3-[4-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]butanoic acid.

Molecular Properties

Compound Name3-methyl-3-[4-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]butanoic acid
PubChem CID117489746
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name3-methyl-3-[4-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]butanoic acid
SMILESCC(C)N1CCN(c2ccc(C(C)(C)CC(=O)O)cc2)C1=O
InChIInChI=1S/C17H24N2O3/c1-12(2)18-9-10-19(16(18)22)14-7-5-13(6-8-14)17(3,4)11-15(20)21/h5-8,12H,9-11H2,1-4H3,(H,20,21)
InChIKeyBGJZODWMLIJUTJ-UHFFFAOYSA-N
XLogP3.09
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methyl-3-[4-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[4-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]butanoic acid?
The IUPAC name of 3-methyl-3-[4-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]butanoic acid (CID 117489746) is 3-methyl-3-[4-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]butanoic acid.
What is the SMILES notation for 3-methyl-3-[4-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]butanoic acid?
The canonical SMILES for 3-methyl-3-[4-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]butanoic acid is CC(C)N1CCN(c2ccc(C(C)(C)CC(=O)O)cc2)C1=O.
What is the InChIKey of 3-methyl-3-[4-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]butanoic acid?
The InChIKey is BGJZODWMLIJUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-12(2)18-9-10-19(16(18)22)14-7-5-13(6-8-14)17(3,4)11-15(20)21/h5-8,12H,9-11H2,1-4H3,(H,20,21).
What are the key properties of 3-methyl-3-[4-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]butanoic acid?
3-methyl-3-[4-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]butanoic acid has a molecular weight of 304.39 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[4-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]butanoic acid is sourced from PubChem (CID 117489746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).