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

C14H18N2O3 — CID 82514269

IUPAC3-[4-methyl-3-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]propanoic acid
SMILESCc1ccc(CCC(=O)O)cc1N1CCN(C)C1=O
InChIInChI=1S/C14H18N2O3/c1-10-3-4-11(5-6-13(17)18)9-12(10)16-8-7-15(2)14(16)19/h3-4,9H,5-8H2,1-2H3,(H,17,18)
InChIKeyKFYVAWTXCGTTPM-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.88
Rot. Bonds4

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

3-[4-methyl-3-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]propanoic acid (PubChem CID 82514269) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-[4-methyl-3-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-methyl-3-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]propanoic acid
PubChem CID82514269
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name3-[4-methyl-3-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]propanoic acid
SMILESCc1ccc(CCC(=O)O)cc1N1CCN(C)C1=O
InChIInChI=1S/C14H18N2O3/c1-10-3-4-11(5-6-13(17)18)9-12(10)16-8-7-15(2)14(16)19/h3-4,9H,5-8H2,1-2H3,(H,17,18)
InChIKeyKFYVAWTXCGTTPM-UHFFFAOYSA-N
XLogP1.88
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-Dioxo-3,4-diphenyl-1-imidazolidinenonanoic acid
CID 10250894
3-(3-(4-Octylphenyl)-2-oxoimidazolidin-1-yl)propanoic acid
CID 46199365
3-[4-[4-Fluoro-3-[methyl(pentylcarbamoyl)amino]phenyl]phenyl]propanoic acid
CID 11632441
3-[3-Fluoro-4-[3-[heptylcarbamoyl(methyl)amino]phenyl]phenyl]propanoic acid
CID 11654554
8-[3-(4-Fluorobenzyl)-2-oxo-benzimidazolin-1-yl]-caprylic acid
CID 12961184
8-[2-Oxo-4-phenyl-3-(3-trifluoromethyl-phenyl)-4-imidazolin-1-yl] caprylic acid
CID 12961717
8-[3-(4-Fluorophenyl)-2-oxo-4-phenyl-4-imidazolin-1-yl] caprylic acid
CID 12961720
3-[4-[3-[4-(Aminomethyl)-3-fluorophenyl]-2-oxoimidazolidin-1-yl]phenyl]propanoic acid
CID 22098241
3-[3-Fluoro-3'-(3-heptyl-1-methylureido)biphenyl-4-yl]propanoic acid
CID 58089079
Methyl 8-[2-oxo-4-phenyl-3-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]octanoate
CID 70518764
Methyl 8-[3-(4-fluorophenyl)-2-oxo-4-phenylimidazolidin-1-yl]octanoate
CID 70518891
8-[2-Oxo-4-phenyl-3-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]octanoic acid
CID 70520002

Frequently Asked Questions

What is the IUPAC name of 3-[4-methyl-3-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]propanoic acid?
The IUPAC name of 3-[4-methyl-3-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]propanoic acid (CID 82514269) is 3-[4-methyl-3-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]propanoic acid.
What is the SMILES notation for 3-[4-methyl-3-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]propanoic acid?
The canonical SMILES for 3-[4-methyl-3-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]propanoic acid is Cc1ccc(CCC(=O)O)cc1N1CCN(C)C1=O.
What is the InChIKey of 3-[4-methyl-3-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]propanoic acid?
The InChIKey is KFYVAWTXCGTTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-10-3-4-11(5-6-13(17)18)9-12(10)16-8-7-15(2)14(16)19/h3-4,9H,5-8H2,1-2H3,(H,17,18).
What are the key properties of 3-[4-methyl-3-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]propanoic acid?
3-[4-methyl-3-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]propanoic acid has a molecular weight of 262.31 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methyl-3-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]propanoic acid is sourced from PubChem (CID 82514269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).