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

C13H15FN2O3 — CID 116979592

IUPAC2-[4-(2-fluorophenyl)-2-oxoimidazolidin-1-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)N1CC(c2ccccc2F)NC1=O
InChIInChI=1S/C13H15FN2O3/c1-13(2,11(17)18)16-7-10(15-12(16)19)8-5-3-4-6-9(8)14/h3-6,10H,7H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyAVQHNPCHSMZPEP-UHFFFAOYSA-N
MW266.27 g/mol
LogP1.76
Rot. Bonds3

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

2-[4-(2-fluorophenyl)-2-oxoimidazolidin-1-yl]-2-methylpropanoic acid (PubChem CID 116979592) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)-2-oxoimidazolidin-1-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)-2-oxoimidazolidin-1-yl]-2-methylpropanoic acid
PubChem CID116979592
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC Name2-[4-(2-fluorophenyl)-2-oxoimidazolidin-1-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)N1CC(c2ccccc2F)NC1=O
InChIInChI=1S/C13H15FN2O3/c1-13(2,11(17)18)16-7-10(15-12(16)19)8-5-3-4-6-9(8)14/h3-6,10H,7H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyAVQHNPCHSMZPEP-UHFFFAOYSA-N
XLogP1.76
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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-[4-(2-fluorophenyl)-2-oxoimidazolidin-1-yl]butanoic acid
CID 116979669
4-(2-fluorophenyl)-1-[3-(methylamino)propyl]imidazolidin-2-one
CID 116978623
2-(1-methyl-2-oxoimidazolidin-4-yl)benzoic acid
CID 105475250
4-(2-fluorophenyl)-1-(pyrrolidin-3-ylmethyl)imidazolidin-2-one
CID 116979116
ethane;1-[3-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 142506906
ethane;3-fluoro-6-(2-fluorophenyl)piperidin-2-one
CID 145079036
(3R,4S)-4-(2-fluorophenyl)-1-methylpyrrolidine-3-carboxylic acid
CID 124675442
2-(2-fluorophenyl)-2,3-dihydro-1H-quinolin-4-one
CID 11218695
2-methyl-2-(4-methyl-2-oxo-3-phenyl-1,3-diazinan-1-yl)propanoic acid
CID 139705211
(4S)-5-acetyl-4-(2-fluorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 781415
2-[cyclopropyl(methyl)amino]-2-(2-fluorophenyl)propanoic acid
CID 114990361
(4R)-5-acetyl-4-(2-fluorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 781417

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)-2-oxoimidazolidin-1-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[4-(2-fluorophenyl)-2-oxoimidazolidin-1-yl]-2-methylpropanoic acid (CID 116979592) is 2-[4-(2-fluorophenyl)-2-oxoimidazolidin-1-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-(2-fluorophenyl)-2-oxoimidazolidin-1-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-(2-fluorophenyl)-2-oxoimidazolidin-1-yl]-2-methylpropanoic acid is CC(C)(C(=O)O)N1CC(c2ccccc2F)NC1=O.
What is the InChIKey of 2-[4-(2-fluorophenyl)-2-oxoimidazolidin-1-yl]-2-methylpropanoic acid?
The InChIKey is AVQHNPCHSMZPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3/c1-13(2,11(17)18)16-7-10(15-12(16)19)8-5-3-4-6-9(8)14/h3-6,10H,7H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 2-[4-(2-fluorophenyl)-2-oxoimidazolidin-1-yl]-2-methylpropanoic acid?
2-[4-(2-fluorophenyl)-2-oxoimidazolidin-1-yl]-2-methylpropanoic acid has a molecular weight of 266.27 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)-2-oxoimidazolidin-1-yl]-2-methylpropanoic acid is sourced from PubChem (CID 116979592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).