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

C13H15FN2O3 — CID 116979669

IUPAC3-[4-(2-fluorophenyl)-2-oxoimidazolidin-1-yl]butanoic acid
SMILESCC(CC(=O)O)N1CC(c2ccccc2F)NC1=O
InChIInChI=1S/C13H15FN2O3/c1-8(6-12(17)18)16-7-11(15-13(16)19)9-4-2-3-5-10(9)14/h2-5,8,11H,6-7H2,1H3,(H,15,19)(H,17,18)
InChIKeyJPADFFBFGUFWCR-UHFFFAOYSA-N
MW266.27 g/mol
LogP1.76
Rot. Bonds4

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

3-[4-(2-fluorophenyl)-2-oxoimidazolidin-1-yl]butanoic acid (PubChem CID 116979669) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is 3-[4-(2-fluorophenyl)-2-oxoimidazolidin-1-yl]butanoic acid.

Molecular Properties

Compound Name3-[4-(2-fluorophenyl)-2-oxoimidazolidin-1-yl]butanoic acid
PubChem CID116979669
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC Name3-[4-(2-fluorophenyl)-2-oxoimidazolidin-1-yl]butanoic acid
SMILESCC(CC(=O)O)N1CC(c2ccccc2F)NC1=O
InChIInChI=1S/C13H15FN2O3/c1-8(6-12(17)18)16-7-11(15-13(16)19)9-4-2-3-5-10(9)14/h2-5,8,11H,6-7H2,1H3,(H,15,19)(H,17,18)
InChIKeyJPADFFBFGUFWCR-UHFFFAOYSA-N
XLogP1.76
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 51.76
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-[4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]butanoic acid
CID 116979660
3-(2-oxo-4-thiophen-2-ylimidazolidin-1-yl)butanoic acid
CID 116979658
2-[4-(2-fluorophenyl)-2-oxoimidazolidin-1-yl]-2-methylpropanoic acid
CID 116979592
1-(4-aminobutan-2-yl)-4-(2-methoxyphenyl)imidazolidin-2-one
CID 116978676
3-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]butanoic acid
CID 63235661
1-(1-hydroxyethyl)-4-phenylimidazolidin-2-one
CID 70630511
4-(2-fluorophenyl)-1-[3-(methylamino)propyl]imidazolidin-2-one
CID 116978623
3-(3-methyl-2-oxo-4-phenylimidazolidin-1-yl)butanoic acid
CID 116982137
1-(4-aminobutan-2-yl)-4-(3-fluorophenyl)imidazolidin-2-one
CID 116978671
4-(2-fluorophenyl)-1-(pyrrolidin-3-ylmethyl)imidazolidin-2-one
CID 116979116
3-(7-fluoro-2,3-dihydro-1H-indol-3-yl)butanoic acid
CID 83860347

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-fluorophenyl)-2-oxoimidazolidin-1-yl]butanoic acid?
The IUPAC name of 3-[4-(2-fluorophenyl)-2-oxoimidazolidin-1-yl]butanoic acid (CID 116979669) is 3-[4-(2-fluorophenyl)-2-oxoimidazolidin-1-yl]butanoic acid.
What is the SMILES notation for 3-[4-(2-fluorophenyl)-2-oxoimidazolidin-1-yl]butanoic acid?
The canonical SMILES for 3-[4-(2-fluorophenyl)-2-oxoimidazolidin-1-yl]butanoic acid is CC(CC(=O)O)N1CC(c2ccccc2F)NC1=O.
What is the InChIKey of 3-[4-(2-fluorophenyl)-2-oxoimidazolidin-1-yl]butanoic acid?
The InChIKey is JPADFFBFGUFWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3/c1-8(6-12(17)18)16-7-11(15-13(16)19)9-4-2-3-5-10(9)14/h2-5,8,11H,6-7H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 3-[4-(2-fluorophenyl)-2-oxoimidazolidin-1-yl]butanoic acid?
3-[4-(2-fluorophenyl)-2-oxoimidazolidin-1-yl]butanoic acid has a molecular weight of 266.27 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-fluorophenyl)-2-oxoimidazolidin-1-yl]butanoic acid is sourced from PubChem (CID 116979669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).