ethyl 3-(ethoxymethyl)-2-methylimidazole-4-carboxylate

C10H16N2O3 — CID 134840870

IUPACethyl 3-(ethoxymethyl)-2-methylimidazole-4-carboxylate
SMILESCCOCn1c(C(=O)OCC)cnc1C
InChIInChI=1S/C10H16N2O3/c1-4-14-7-12-8(3)11-6-9(12)10(13)15-5-2/h6H,4-5,7H2,1-3H3
InChIKeyWHUBPBLRFUGANB-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.36
Rot. Bonds5

About ethyl 3-(ethoxymethyl)-2-methylimidazole-4-carboxylate

ethyl 3-(ethoxymethyl)-2-methylimidazole-4-carboxylate (PubChem CID 134840870) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is ethyl 3-(ethoxymethyl)-2-methylimidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-(ethoxymethyl)-2-methylimidazole-4-carboxylate
PubChem CID134840870
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Nameethyl 3-(ethoxymethyl)-2-methylimidazole-4-carboxylate
SMILESCCOCn1c(C(=O)OCC)cnc1C
InChIInChI=1S/C10H16N2O3/c1-4-14-7-12-8(3)11-6-9(12)10(13)15-5-2/h6H,4-5,7H2,1-3H3
InChIKeyWHUBPBLRFUGANB-UHFFFAOYSA-N
XLogP1.36
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-methyl-3-phenylimidazole-4-carboxylate
CID 134397442
3-(2-ethoxyethyl)-2-methylimidazole-4-carboxylic acid
CID 65172635
ethyl 3-(ethoxymethyl)-5-formyl-2-methylimidazole-4-carboxylate
CID 101025527
2-methyl-3-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylic acid
CID 166022930
methyl 3-[3-(dimethylamino)-3-oxopropyl]-2-methylimidazole-4-carboxylate
CID 65170904
2-[2-ethoxycarbonyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-2-oxoacetic acid
CID 177253844
methyl 2-methyl-3-[2-(methylamino)-2-oxoethyl]imidazole-4-carboxylate
CID 65173047
ethyl 2-tert-butylpyrazole-3-carboxylate
CID 56956209
ethyl 2-methyl-6-oxo-1-prop-2-enylpyrimidine-5-carboxylate
CID 18172499
ethyl 5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylate
CID 14850356
methyl 2-methyl-3-(2-methylpentyl)imidazole-4-carboxylate
CID 65171561
ethyl 1H-imidazo[1,2-a]imidazole-5-carboxylate
CID 177179793

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(ethoxymethyl)-2-methylimidazole-4-carboxylate?
The IUPAC name of ethyl 3-(ethoxymethyl)-2-methylimidazole-4-carboxylate (CID 134840870) is ethyl 3-(ethoxymethyl)-2-methylimidazole-4-carboxylate.
What is the SMILES notation for ethyl 3-(ethoxymethyl)-2-methylimidazole-4-carboxylate?
The canonical SMILES for ethyl 3-(ethoxymethyl)-2-methylimidazole-4-carboxylate is CCOCn1c(C(=O)OCC)cnc1C.
What is the InChIKey of ethyl 3-(ethoxymethyl)-2-methylimidazole-4-carboxylate?
The InChIKey is WHUBPBLRFUGANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-4-14-7-12-8(3)11-6-9(12)10(13)15-5-2/h6H,4-5,7H2,1-3H3.
What are the key properties of ethyl 3-(ethoxymethyl)-2-methylimidazole-4-carboxylate?
ethyl 3-(ethoxymethyl)-2-methylimidazole-4-carboxylate has a molecular weight of 212.25 g/mol, XLogP of 1.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(ethoxymethyl)-2-methylimidazole-4-carboxylate is sourced from PubChem (CID 134840870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).