3-methyl-3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]butanoic acid

C15H20N2O3 — CID 117442596

IUPAC3-methyl-3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]butanoic acid
SMILESCN1CCN(c2ccc(C(C)(C)CC(=O)O)cc2)C1=O
InChIInChI=1S/C15H20N2O3/c1-15(2,10-13(18)19)11-4-6-12(7-5-11)17-9-8-16(3)14(17)20/h4-7H,8-10H2,1-3H3,(H,18,19)
InChIKeyMTSOXTUHMKBNPU-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.31
Rot. Bonds4

About 3-methyl-3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]butanoic acid

3-methyl-3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]butanoic acid (PubChem CID 117442596) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-methyl-3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]butanoic acid.

Molecular Properties

Compound Name3-methyl-3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]butanoic acid
PubChem CID117442596
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-methyl-3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]butanoic acid
SMILESCN1CCN(c2ccc(C(C)(C)CC(=O)O)cc2)C1=O
InChIInChI=1S/C15H20N2O3/c1-15(2,10-13(18)19)11-4-6-12(7-5-11)17-9-8-16(3)14(17)20/h4-7H,8-10H2,1-3H3,(H,18,19)
InChIKeyMTSOXTUHMKBNPU-UHFFFAOYSA-N
XLogP2.31
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methyl-3-[4-(3-methyl-2-oxoimidazolidin-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-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]butanoic acid?
The IUPAC name of 3-methyl-3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]butanoic acid (CID 117442596) is 3-methyl-3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]butanoic acid.
What is the SMILES notation for 3-methyl-3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]butanoic acid?
The canonical SMILES for 3-methyl-3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]butanoic acid is CN1CCN(c2ccc(C(C)(C)CC(=O)O)cc2)C1=O.
What is the InChIKey of 3-methyl-3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]butanoic acid?
The InChIKey is MTSOXTUHMKBNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-15(2,10-13(18)19)11-4-6-12(7-5-11)17-9-8-16(3)14(17)20/h4-7H,8-10H2,1-3H3,(H,18,19).
What are the key properties of 3-methyl-3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]butanoic acid?
3-methyl-3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]butanoic acid has a molecular weight of 276.34 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]butanoic acid is sourced from PubChem (CID 117442596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).