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

C14H18N2O3 — CID 116979660

IUPAC3-[4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]butanoic acid
SMILESCc1ccc(C2CN(C(C)CC(=O)O)C(=O)N2)cc1
InChIInChI=1S/C14H18N2O3/c1-9-3-5-11(6-4-9)12-8-16(14(19)15-12)10(2)7-13(17)18/h3-6,10,12H,7-8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyUNXVWYMGTHFNLA-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.92
Rot. Bonds4

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

3-[4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]butanoic acid (PubChem CID 116979660) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-[4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]butanoic acid.

Molecular Properties

Compound Name3-[4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]butanoic acid
PubChem CID116979660
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name3-[4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]butanoic acid
SMILESCc1ccc(C2CN(C(C)CC(=O)O)C(=O)N2)cc1
InChIInChI=1S/C14H18N2O3/c1-9-3-5-11(6-4-9)12-8-16(14(19)15-12)10(2)7-13(17)18/h3-6,10,12H,7-8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyUNXVWYMGTHFNLA-UHFFFAOYSA-N
XLogP1.92
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-oxo-4-pyridin-2-ylimidazolidin-1-yl)butanoic acid
CID 116979672
3-(2-oxo-4-thiophen-2-ylimidazolidin-1-yl)butanoic acid
CID 116979658
3-[4-(2-fluorophenyl)-2-oxoimidazolidin-1-yl]butanoic acid
CID 116979669
3-[4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]propanoic acid
CID 116979506
1-(1-hydroxyethyl)-4-phenylimidazolidin-2-one
CID 70630511
1-(1-aminopropan-2-yl)-4-(3-methylphenyl)imidazolidin-2-one
CID 116978347
3-[4-(oxan-4-yl)-2-oxoimidazolidin-1-yl]butanoic acid
CID 116979678
4-(4-methylsulfanylphenyl)-1-propan-2-ylimidazolidin-2-one
CID 116981144
2-[4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]acetonitrile
CID 116980124
3-[4-(4-bromophenyl)-2-oxoimidazolidin-1-yl]-2-methylpropanoic acid
CID 116979713
3-[3-methyl-2-oxo-4-(1H-pyrrol-3-yl)imidazolidin-1-yl]butanoic acid
CID 116982139
1-(4-aminobutan-2-yl)-4-(3-fluorophenyl)imidazolidin-2-one
CID 116978671

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]butanoic acid?
The IUPAC name of 3-[4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]butanoic acid (CID 116979660) is 3-[4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]butanoic acid.
What is the SMILES notation for 3-[4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]butanoic acid?
The canonical SMILES for 3-[4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]butanoic acid is Cc1ccc(C2CN(C(C)CC(=O)O)C(=O)N2)cc1.
What is the InChIKey of 3-[4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]butanoic acid?
The InChIKey is UNXVWYMGTHFNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9-3-5-11(6-4-9)12-8-16(14(19)15-12)10(2)7-13(17)18/h3-6,10,12H,7-8H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 3-[4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]butanoic acid?
3-[4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]butanoic acid has a molecular weight of 262.31 g/mol, XLogP of 1.92, 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]butanoic acid is sourced from PubChem (CID 116979660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).