2-O-ethyl 4-O-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

C15H19N3O6 — CID 7198456

IUPAC2-O-ethyl 4-O-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
SMILESCCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)N2CCNC2=O)c1C
InChIInChI=1S/C15H19N3O6/c1-4-23-14(21)12-8(2)11(9(3)17-12)13(20)24-7-10(19)18-6-5-16-15(18)22/h17H,4-7H2,1-3H3,(H,16,22)
InChIKeyKDVGJCPINFTEKT-UHFFFAOYSA-N
MW337.33 g/mol
LogP0.52
Rot. Bonds5

About 2-O-ethyl 4-O-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

2-O-ethyl 4-O-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate (PubChem CID 7198456) has the molecular formula C15H19N3O6 and a molecular weight of 337.33 g/mol. Its IUPAC name is 2-O-ethyl 4-O-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate.

Molecular Properties

Compound Name2-O-ethyl 4-O-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
PubChem CID7198456
Molecular FormulaC15H19N3O6
Molecular Weight337.33 g/mol
Exact Mass337.13
IUPAC Name2-O-ethyl 4-O-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
SMILESCCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)N2CCNC2=O)c1C
InChIInChI=1S/C15H19N3O6/c1-4-23-14(21)12-8(2)11(9(3)17-12)13(20)24-7-10(19)18-6-5-16-15(18)22/h17H,4-7H2,1-3H3,(H,16,22)
InChIKeyKDVGJCPINFTEKT-UHFFFAOYSA-N
XLogP0.52
TPSA117.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-O-ethyl 4-O-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate with MolForge

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Related Compounds

4-O-[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl] 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 8576129
4-O-ethyl 2-O-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
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2-O-[2-[(2S)-2-ethoxycarbonylpiperidin-1-yl]-2-oxoethyl] 4-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 8572679
4-O-[2-(diethylamino)-2-oxoethyl] 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 2601203
2-O-butyl 4-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 52527992
2-O-[2-(1-adamantyl)-2-oxoethyl] 4-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
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2-O-ethyl 4-O-(2-methoxyethyl) 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
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2-O-ethyl 4-O-prop-2-enyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 9405159
2-O-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-O-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 41013005
4-O-ethyl 2-O-[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 7278346
2-O-ethyl 4-O-[2-(2-methylpropylamino)-2-oxoethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 2704564
2-O-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 4-O-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
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Frequently Asked Questions

What is the IUPAC name of 2-O-ethyl 4-O-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate?
The IUPAC name of 2-O-ethyl 4-O-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate (CID 7198456) is 2-O-ethyl 4-O-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate.
What is the SMILES notation for 2-O-ethyl 4-O-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate?
The canonical SMILES for 2-O-ethyl 4-O-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate is CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)N2CCNC2=O)c1C.
What is the InChIKey of 2-O-ethyl 4-O-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate?
The InChIKey is KDVGJCPINFTEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O6/c1-4-23-14(21)12-8(2)11(9(3)17-12)13(20)24-7-10(19)18-6-5-16-15(18)22/h17H,4-7H2,1-3H3,(H,16,22).
What are the key properties of 2-O-ethyl 4-O-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate?
2-O-ethyl 4-O-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate has a molecular weight of 337.33 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-ethyl 4-O-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate is sourced from PubChem (CID 7198456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).