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

C11H14N2O3S — CID 116979658

IUPAC3-(2-oxo-4-thiophen-2-ylimidazolidin-1-yl)butanoic acid
SMILESCC(CC(=O)O)N1CC(c2cccs2)NC1=O
InChIInChI=1S/C11H14N2O3S/c1-7(5-10(14)15)13-6-8(12-11(13)16)9-3-2-4-17-9/h2-4,7-8H,5-6H2,1H3,(H,12,16)(H,14,15)
InChIKeyFGILMMWFECNIFW-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.68
Rot. Bonds4

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

3-(2-oxo-4-thiophen-2-ylimidazolidin-1-yl)butanoic acid (PubChem CID 116979658) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is 3-(2-oxo-4-thiophen-2-ylimidazolidin-1-yl)butanoic acid.

Molecular Properties

Compound Name3-(2-oxo-4-thiophen-2-ylimidazolidin-1-yl)butanoic acid
PubChem CID116979658
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name3-(2-oxo-4-thiophen-2-ylimidazolidin-1-yl)butanoic acid
SMILESCC(CC(=O)O)N1CC(c2cccs2)NC1=O
InChIInChI=1S/C11H14N2O3S/c1-7(5-10(14)15)13-6-8(12-11(13)16)9-3-2-4-17-9/h2-4,7-8H,5-6H2,1H3,(H,12,16)(H,14,15)
InChIKeyFGILMMWFECNIFW-UHFFFAOYSA-N
XLogP1.68
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(2-oxo-4-thiophen-2-ylimidazolidin-1-yl)butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(2-fluorophenyl)-2-oxoimidazolidin-1-yl]butanoic acid
CID 116979669
1-(2-aminopropyl)-4-thiophen-2-ylimidazolidin-2-one
CID 116978375
methyl 3-(2-oxo-4-thiophen-2-ylimidazolidin-1-yl)propanoate
CID 116980356
1-[2-methyl-1-(methylamino)propan-2-yl]-4-thiophen-2-ylimidazolidin-2-one
CID 116979900
1-[3-(methylamino)propyl]-4-thiophen-2-ylimidazolidin-2-one
CID 116978600
1-(1-hydroxyethyl)-4-phenylimidazolidin-2-one
CID 70630511
2-(2-thiophen-2-ylcyclohexyl)propanoic acid
CID 82243540
5-thiophen-2-ylpyrrolidine-2-carboxylic acid
CID 55271321
3-[cyclopropyl(thiophen-2-ylmethyl)amino]butanoic acid
CID 61448892
(2S,3S)-1-(3-methylbutyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxylic acid
CID 95291481
3-(5-methylhexyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83260430
4-[3-(2,4-difluorophenyl)prop-2-enoyl]-3-(2-methylpropyl)-6-thiophen-2-ylpiperazin-2-one
CID 77456698

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-4-thiophen-2-ylimidazolidin-1-yl)butanoic acid?
The IUPAC name of 3-(2-oxo-4-thiophen-2-ylimidazolidin-1-yl)butanoic acid (CID 116979658) is 3-(2-oxo-4-thiophen-2-ylimidazolidin-1-yl)butanoic acid.
What is the SMILES notation for 3-(2-oxo-4-thiophen-2-ylimidazolidin-1-yl)butanoic acid?
The canonical SMILES for 3-(2-oxo-4-thiophen-2-ylimidazolidin-1-yl)butanoic acid is CC(CC(=O)O)N1CC(c2cccs2)NC1=O.
What is the InChIKey of 3-(2-oxo-4-thiophen-2-ylimidazolidin-1-yl)butanoic acid?
The InChIKey is FGILMMWFECNIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-7(5-10(14)15)13-6-8(12-11(13)16)9-3-2-4-17-9/h2-4,7-8H,5-6H2,1H3,(H,12,16)(H,14,15).
What are the key properties of 3-(2-oxo-4-thiophen-2-ylimidazolidin-1-yl)butanoic acid?
3-(2-oxo-4-thiophen-2-ylimidazolidin-1-yl)butanoic acid has a molecular weight of 254.31 g/mol, XLogP of 1.68, 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-thiophen-2-ylimidazolidin-1-yl)butanoic acid is sourced from PubChem (CID 116979658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).