ethyl 3-(2-methoxy-2-oxoethyl)-5-methylimidazole-4-carboxylate

C10H14N2O4 — CID 101483745

IUPACethyl 3-(2-methoxy-2-oxoethyl)-5-methylimidazole-4-carboxylate
SMILESCCOC(=O)c1c(C)ncn1CC(=O)OC
InChIInChI=1S/C10H14N2O4/c1-4-16-10(14)9-7(2)11-6-12(9)5-8(13)15-3/h6H,4-5H2,1-3H3
InChIKeyZINGRHHHEQNPLB-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.54
Rot. Bonds4

About ethyl 3-(2-methoxy-2-oxoethyl)-5-methylimidazole-4-carboxylate

ethyl 3-(2-methoxy-2-oxoethyl)-5-methylimidazole-4-carboxylate (PubChem CID 101483745) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is ethyl 3-(2-methoxy-2-oxoethyl)-5-methylimidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2-methoxy-2-oxoethyl)-5-methylimidazole-4-carboxylate
PubChem CID101483745
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Nameethyl 3-(2-methoxy-2-oxoethyl)-5-methylimidazole-4-carboxylate
SMILESCCOC(=O)c1c(C)ncn1CC(=O)OC
InChIInChI=1S/C10H14N2O4/c1-4-16-10(14)9-7(2)11-6-12(9)5-8(13)15-3/h6H,4-5H2,1-3H3
InChIKeyZINGRHHHEQNPLB-UHFFFAOYSA-N
XLogP0.54
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-amino-1-(2-ethoxy-2-oxoethyl)imidazole-4-carboxylate
CID 103544849
ethyl 3-ethyl-5-hydroxyimidazole-4-carboxylate
CID 156703969
ethyl 2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetate
CID 66340203
methyl 2-(4,5-dichloroimidazol-1-yl)acetate
CID 45491733
ethyl 3-(3,4-dichlorophenyl)-5-methylimidazole-4-carboxylate
CID 69038701
ethyl 1-(2-methoxy-2-oxoethyl)-6-oxocyclopenta[d]pyrazole-3-carboxylate
CID 144693659
ethyl 5-[[(5S)-5-(2-methoxy-2-oxoethyl)-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]-3-(2-oxopropyl)imidazole-4-carboxylate
CID 1497126
ethyl 1-(4-methylphenyl)-1,2,4-triazole-3-carboxylate
CID 71304242
ethyl 5-methyl-3-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]imidazole-4-carboxylate
CID 139532664
ethyl 3-(4-chlorocyclopent-2-en-1-yl)-5-methylimidazole-4-carboxylate
CID 68780421
diethyl 1-benzylimidazole-4,5-dicarboxylate
CID 852453
1-(3-ethyl-5-methylimidazol-4-yl)-2-(methylamino)ethanone
CID 82408247

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-methoxy-2-oxoethyl)-5-methylimidazole-4-carboxylate?
The IUPAC name of ethyl 3-(2-methoxy-2-oxoethyl)-5-methylimidazole-4-carboxylate (CID 101483745) is ethyl 3-(2-methoxy-2-oxoethyl)-5-methylimidazole-4-carboxylate.
What is the SMILES notation for ethyl 3-(2-methoxy-2-oxoethyl)-5-methylimidazole-4-carboxylate?
The canonical SMILES for ethyl 3-(2-methoxy-2-oxoethyl)-5-methylimidazole-4-carboxylate is CCOC(=O)c1c(C)ncn1CC(=O)OC.
What is the InChIKey of ethyl 3-(2-methoxy-2-oxoethyl)-5-methylimidazole-4-carboxylate?
The InChIKey is ZINGRHHHEQNPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-4-16-10(14)9-7(2)11-6-12(9)5-8(13)15-3/h6H,4-5H2,1-3H3.
What are the key properties of ethyl 3-(2-methoxy-2-oxoethyl)-5-methylimidazole-4-carboxylate?
ethyl 3-(2-methoxy-2-oxoethyl)-5-methylimidazole-4-carboxylate has a molecular weight of 226.23 g/mol, XLogP of 0.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-methoxy-2-oxoethyl)-5-methylimidazole-4-carboxylate is sourced from PubChem (CID 101483745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).