methyl 3-(2-oxo-4-thiophen-2-ylimidazolidin-1-yl)propanoate

C11H14N2O3S — CID 116980356

IUPACmethyl 3-(2-oxo-4-thiophen-2-ylimidazolidin-1-yl)propanoate
SMILESCOC(=O)CCN1CC(c2cccs2)NC1=O
InChIInChI=1S/C11H14N2O3S/c1-16-10(14)4-5-13-7-8(12-11(13)15)9-3-2-6-17-9/h2-3,6,8H,4-5,7H2,1H3,(H,12,15)
InChIKeyMVMUNVDVNKFLDX-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.38
Rot. Bonds4

About methyl 3-(2-oxo-4-thiophen-2-ylimidazolidin-1-yl)propanoate

methyl 3-(2-oxo-4-thiophen-2-ylimidazolidin-1-yl)propanoate (PubChem CID 116980356) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is methyl 3-(2-oxo-4-thiophen-2-ylimidazolidin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(2-oxo-4-thiophen-2-ylimidazolidin-1-yl)propanoate
PubChem CID116980356
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Namemethyl 3-(2-oxo-4-thiophen-2-ylimidazolidin-1-yl)propanoate
SMILESCOC(=O)CCN1CC(c2cccs2)NC1=O
InChIInChI=1S/C11H14N2O3S/c1-16-10(14)4-5-13-7-8(12-11(13)15)9-3-2-6-17-9/h2-3,6,8H,4-5,7H2,1H3,(H,12,15)
InChIKeyMVMUNVDVNKFLDX-UHFFFAOYSA-N
XLogP1.38
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(methylamino)propyl]-4-thiophen-2-ylimidazolidin-2-one
CID 116978600
1-(2-aminopropyl)-4-thiophen-2-ylimidazolidin-2-one
CID 116978375
methyl 3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanoate
CID 94488312
methyl 3-(4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)propanoate
CID 3873645
methyl 3-(4-tert-butyl-2-oxoimidazolidin-1-yl)propanoate
CID 116980353
methyl 3-(2-oxo-4-propan-2-ylimidazolidin-1-yl)propanoate
CID 116980354
3-(2-oxo-4-thiophen-2-ylimidazolidin-1-yl)butanoic acid
CID 116979658
methyl 3-(5-oxo-4-propyl-2-thiophen-2-ylimidazolidin-1-yl)propanoate
CID 83256806
1-[2-methyl-1-(methylamino)propan-2-yl]-4-thiophen-2-ylimidazolidin-2-one
CID 116979900
methyl 2-[4-(2-methylphenyl)-2-oxoimidazolidin-1-yl]acetate
CID 116980330
methyl 5-thiophen-2-ylthiomorpholine-3-carboxylate
CID 65171078
methyl 3-(3-amino-2,3-dihydroindol-1-yl)propanoate
CID 70997252

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-oxo-4-thiophen-2-ylimidazolidin-1-yl)propanoate?
The IUPAC name of methyl 3-(2-oxo-4-thiophen-2-ylimidazolidin-1-yl)propanoate (CID 116980356) is methyl 3-(2-oxo-4-thiophen-2-ylimidazolidin-1-yl)propanoate.
What is the SMILES notation for methyl 3-(2-oxo-4-thiophen-2-ylimidazolidin-1-yl)propanoate?
The canonical SMILES for methyl 3-(2-oxo-4-thiophen-2-ylimidazolidin-1-yl)propanoate is COC(=O)CCN1CC(c2cccs2)NC1=O.
What is the InChIKey of methyl 3-(2-oxo-4-thiophen-2-ylimidazolidin-1-yl)propanoate?
The InChIKey is MVMUNVDVNKFLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-16-10(14)4-5-13-7-8(12-11(13)15)9-3-2-6-17-9/h2-3,6,8H,4-5,7H2,1H3,(H,12,15).
What are the key properties of methyl 3-(2-oxo-4-thiophen-2-ylimidazolidin-1-yl)propanoate?
methyl 3-(2-oxo-4-thiophen-2-ylimidazolidin-1-yl)propanoate has a molecular weight of 254.31 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-oxo-4-thiophen-2-ylimidazolidin-1-yl)propanoate is sourced from PubChem (CID 116980356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).