3-[4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]propanoic acid

C13H16N2O3 — CID 116979506

IUPAC3-[4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]propanoic acid
SMILESCc1ccc(C2CN(CCC(=O)O)C(=O)N2)cc1
InChIInChI=1S/C13H16N2O3/c1-9-2-4-10(5-3-9)11-8-15(13(18)14-11)7-6-12(16)17/h2-5,11H,6-8H2,1H3,(H,14,18)(H,16,17)
InChIKeyRALYCPJDYGRFHZ-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.54
Rot. Bonds4

About 3-[4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]propanoic acid

3-[4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]propanoic acid (PubChem CID 116979506) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 3-[4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]propanoic acid
PubChem CID116979506
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name3-[4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]propanoic acid
SMILESCc1ccc(C2CN(CCC(=O)O)C(=O)N2)cc1
InChIInChI=1S/C13H16N2O3/c1-9-2-4-10(5-3-9)11-8-15(13(18)14-11)7-6-12(16)17/h2-5,11H,6-8H2,1H3,(H,14,18)(H,16,17)
InChIKeyRALYCPJDYGRFHZ-UHFFFAOYSA-N
XLogP1.54
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]propanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-[4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]acetonitrile
CID 116980124
3-[4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]butanoic acid
CID 116979660
3-[4-(2-bromophenyl)-2-oxoimidazolidin-1-yl]propanoic acid
CID 116979536
3-(4-ethyl-2-oxoimidazolidin-1-yl)propanoic acid
CID 116979499
3-[4-(4-bromophenyl)-2-oxoimidazolidin-1-yl]-2-methylpropanoic acid
CID 116979713
4-(5-methylfuran-2-yl)-1-(3-oxobutyl)imidazolidin-2-one
CID 116980562
1-ethyl-4-(6-methylnaphthalen-2-yl)imidazolidin-2-one
CID 116981065
4-(4-ethoxyphenyl)-1-(3-hydroxypropyl)imidazolidin-2-one
CID 116979433
1-ethyl-4-(4-ethylphenyl)imidazolidin-2-one
CID 116980946
(4S)-1-benzyl-4-phenylimidazolidin-2-one
CID 142669129
3-[3-methyl-4-(3-methylphenyl)-2-oxoimidazolidin-1-yl]propanoic acid
CID 116982044
1-ethyl-4-(4-methylsulfonylphenyl)imidazolidin-2-one
CID 116981024

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]propanoic acid?
The IUPAC name of 3-[4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]propanoic acid (CID 116979506) is 3-[4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]propanoic acid is Cc1ccc(C2CN(CCC(=O)O)C(=O)N2)cc1.
What is the InChIKey of 3-[4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]propanoic acid?
The InChIKey is RALYCPJDYGRFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-9-2-4-10(5-3-9)11-8-15(13(18)14-11)7-6-12(16)17/h2-5,11H,6-8H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 3-[4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]propanoic acid?
3-[4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]propanoic acid has a molecular weight of 248.28 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]propanoic acid is sourced from PubChem (CID 116979506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).