4-[3-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]butanoic acid

C16H22N2O3 — CID 117469221

IUPAC4-[3-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]butanoic acid
SMILESCC(C)N1CCN(c2cccc(CCCC(=O)O)c2)C1=O
InChIInChI=1S/C16H22N2O3/c1-12(2)17-9-10-18(16(17)21)14-7-3-5-13(11-14)6-4-8-15(19)20/h3,5,7,11-12H,4,6,8-10H2,1-2H3,(H,19,20)
InChIKeyISYUKVGTEXKWSV-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.74
Rot. Bonds6

About 4-[3-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]butanoic acid

4-[3-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]butanoic acid (PubChem CID 117469221) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-[3-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]butanoic acid.

Molecular Properties

Compound Name4-[3-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]butanoic acid
PubChem CID117469221
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name4-[3-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]butanoic acid
SMILESCC(C)N1CCN(c2cccc(CCCC(=O)O)c2)C1=O
InChIInChI=1S/C16H22N2O3/c1-12(2)17-9-10-18(16(17)21)14-7-3-5-13(11-14)6-4-8-15(19)20/h3,5,7,11-12H,4,6,8-10H2,1-2H3,(H,19,20)
InChIKeyISYUKVGTEXKWSV-UHFFFAOYSA-N
XLogP2.74
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(4-propan-2-ylpiperazin-1-yl)phenyl]butanoic acid
CID 117469350
2-amino-2-[3-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]acetic acid
CID 117444231
4-[3-(4,5-dihydroimidazol-1-yl)phenyl]butanoic acid
CID 117336301
4-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]butanoic acid
CID 82514270
1-[3-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]cyclobutane-1-carboxylic acid
CID 117487167
1-[3-(1-aminoethyl)phenyl]-3-propan-2-ylimidazolidin-2-one
CID 117371582
methyl 2-hydroxy-2-[3-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]acetate
CID 117472059
3-[3-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]butanal
CID 117438638
4-(3-aminophenyl)butanoic acid;hydrochloride
CID 11715486
3-[3-(2-oxo-3-propan-2-ylimidazol-1-yl)phenyl]propanoic acid
CID 117438341
4-[3-(hydroxymethyl)phenyl]butanoic acid
CID 123133673
4-[3-(1-methoxyethyl)phenyl]butanoic acid
CID 117108370

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]butanoic acid?
The IUPAC name of 4-[3-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]butanoic acid (CID 117469221) is 4-[3-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]butanoic acid.
What is the SMILES notation for 4-[3-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]butanoic acid?
The canonical SMILES for 4-[3-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]butanoic acid is CC(C)N1CCN(c2cccc(CCCC(=O)O)c2)C1=O.
What is the InChIKey of 4-[3-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]butanoic acid?
The InChIKey is ISYUKVGTEXKWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-12(2)17-9-10-18(16(17)21)14-7-3-5-13(11-14)6-4-8-15(19)20/h3,5,7,11-12H,4,6,8-10H2,1-2H3,(H,19,20).
What are the key properties of 4-[3-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]butanoic acid?
4-[3-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]butanoic acid has a molecular weight of 290.36 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]butanoic acid is sourced from PubChem (CID 117469221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).