3-(2-oxo-4-pyridin-2-ylimidazolidin-1-yl)butanoic acid

C12H15N3O3 — CID 116979672

IUPAC3-(2-oxo-4-pyridin-2-ylimidazolidin-1-yl)butanoic acid
SMILESCC(CC(=O)O)N1CC(c2ccccn2)NC1=O
InChIInChI=1S/C12H15N3O3/c1-8(6-11(16)17)15-7-10(14-12(15)18)9-4-2-3-5-13-9/h2-5,8,10H,6-7H2,1H3,(H,14,18)(H,16,17)
InChIKeyVZOQGHFLULLYKT-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.01
Rot. Bonds4

About 3-(2-oxo-4-pyridin-2-ylimidazolidin-1-yl)butanoic acid

3-(2-oxo-4-pyridin-2-ylimidazolidin-1-yl)butanoic acid (PubChem CID 116979672) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 3-(2-oxo-4-pyridin-2-ylimidazolidin-1-yl)butanoic acid.

Molecular Properties

Compound Name3-(2-oxo-4-pyridin-2-ylimidazolidin-1-yl)butanoic acid
PubChem CID116979672
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name3-(2-oxo-4-pyridin-2-ylimidazolidin-1-yl)butanoic acid
SMILESCC(CC(=O)O)N1CC(c2ccccn2)NC1=O
InChIInChI=1S/C12H15N3O3/c1-8(6-11(16)17)15-7-10(14-12(15)18)9-4-2-3-5-13-9/h2-5,8,10H,6-7H2,1H3,(H,14,18)(H,16,17)
InChIKeyVZOQGHFLULLYKT-UHFFFAOYSA-N
XLogP1.01
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(2-fluorophenyl)-2-oxoimidazolidin-1-yl]butanoic acid
CID 116979669
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
1-(2-amino-2-methylpropyl)-4-pyridin-2-ylimidazolidin-2-one
CID 116978518
1-(1-hydroxyethyl)-4-phenylimidazolidin-2-one
CID 70630511
3-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]butanoic acid
CID 63235661
(2S)-5-pyridin-2-ylpyrrolidine-2-carboxylic acid
CID 12045110
(4R)-1-propan-2-yl-4-(pyridin-2-ylmethyl)imidazolidin-2-one
CID 176750440
4-pyridin-2-yl-1-(2-pyrrolidin-3-ylethyl)imidazolidin-2-one
CID 116980606
(3S)-3-pyridin-2-ylbutanoic acid;sulfane
CID 167654157
(2S,5R)-5-pyridin-2-ylpyrrolidine-2-carboxylic acid;dihydrochloride
CID 154577259
N-[(2R)-4-phenylbutan-2-yl]-3-pyridin-2-ylazetidine-1-carboxamide
CID 125447718

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-4-pyridin-2-ylimidazolidin-1-yl)butanoic acid?
The IUPAC name of 3-(2-oxo-4-pyridin-2-ylimidazolidin-1-yl)butanoic acid (CID 116979672) is 3-(2-oxo-4-pyridin-2-ylimidazolidin-1-yl)butanoic acid.
What is the SMILES notation for 3-(2-oxo-4-pyridin-2-ylimidazolidin-1-yl)butanoic acid?
The canonical SMILES for 3-(2-oxo-4-pyridin-2-ylimidazolidin-1-yl)butanoic acid is CC(CC(=O)O)N1CC(c2ccccn2)NC1=O.
What is the InChIKey of 3-(2-oxo-4-pyridin-2-ylimidazolidin-1-yl)butanoic acid?
The InChIKey is VZOQGHFLULLYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-8(6-11(16)17)15-7-10(14-12(15)18)9-4-2-3-5-13-9/h2-5,8,10H,6-7H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 3-(2-oxo-4-pyridin-2-ylimidazolidin-1-yl)butanoic acid?
3-(2-oxo-4-pyridin-2-ylimidazolidin-1-yl)butanoic acid has a molecular weight of 249.27 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-4-pyridin-2-ylimidazolidin-1-yl)butanoic acid is sourced from PubChem (CID 116979672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).