ethyl 1-[(1R)-1-cyclobutylethyl]-2-ethylimidazole-4-carboxylate

C14H22N2O2 — CID 175860972

IUPACethyl 1-[(1R)-1-cyclobutylethyl]-2-ethylimidazole-4-carboxylate
SMILESCCOC(=O)c1cn([C@H](C)C2CCC2)c(CC)n1
InChIInChI=1S/C14H22N2O2/c1-4-13-15-12(14(17)18-5-2)9-16(13)10(3)11-7-6-8-11/h9-11H,4-8H2,1-3H3/t10-/m1/s1
InChIKeyVIMVVOFUYMCLHU-SNVBAGLBSA-N
MW250.34 g/mol
LogP2.98
Rot. Bonds5

About ethyl 1-[(1R)-1-cyclobutylethyl]-2-ethylimidazole-4-carboxylate

ethyl 1-[(1R)-1-cyclobutylethyl]-2-ethylimidazole-4-carboxylate (PubChem CID 175860972) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is ethyl 1-[(1R)-1-cyclobutylethyl]-2-ethylimidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(1R)-1-cyclobutylethyl]-2-ethylimidazole-4-carboxylate
PubChem CID175860972
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Nameethyl 1-[(1R)-1-cyclobutylethyl]-2-ethylimidazole-4-carboxylate
SMILESCCOC(=O)c1cn([C@H](C)C2CCC2)c(CC)n1
InChIInChI=1S/C14H22N2O2/c1-4-13-15-12(14(17)18-5-2)9-16(13)10(3)11-7-6-8-11/h9-11H,4-8H2,1-3H3/t10-/m1/s1
InChIKeyVIMVVOFUYMCLHU-SNVBAGLBSA-N
XLogP2.98
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[(1S)-1-cyclobutylethyl]-2-ethylimidazole-4-carboxylate
CID 175860990
ethyl 1-(1-cyclohexylethyl)imidazole-4-carboxylate
CID 114203724
ethyl 2-(aminomethyl)-1-methylimidazole-4-carboxylate
CID 117272800
ethyl 2-cyclobutyl-1,3-thiazole-4-carboxylate
CID 54513950
1-(1-cyclobutylethyl)-4-methyl-N-propylimidazol-2-amine
CID 106582706
ethyl 5-(cyclobutylmethyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 167205929
1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-2-ethylimidazole-4-sulfonyl chloride
CID 82911787
ethyl 2-(1-cyclobutylethylamino)propanoate
CID 115766406
ethyl 2-cyclobutyltriazole-4-carboxylate
CID 129164713
1-[1-(cyclopropylamino)-1-oxopropan-2-yl]-2-ethylimidazole-4-sulfonyl chloride
CID 82913602
ethyl 1-(thian-4-yl)triazole-4-carboxylate
CID 122241137
diethyl 1-cyclopentylpyrazole-3,5-dicarboxylate
CID 125461582

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(1R)-1-cyclobutylethyl]-2-ethylimidazole-4-carboxylate?
The IUPAC name of ethyl 1-[(1R)-1-cyclobutylethyl]-2-ethylimidazole-4-carboxylate (CID 175860972) is ethyl 1-[(1R)-1-cyclobutylethyl]-2-ethylimidazole-4-carboxylate.
What is the SMILES notation for ethyl 1-[(1R)-1-cyclobutylethyl]-2-ethylimidazole-4-carboxylate?
The canonical SMILES for ethyl 1-[(1R)-1-cyclobutylethyl]-2-ethylimidazole-4-carboxylate is CCOC(=O)c1cn([C@H](C)C2CCC2)c(CC)n1.
What is the InChIKey of ethyl 1-[(1R)-1-cyclobutylethyl]-2-ethylimidazole-4-carboxylate?
The InChIKey is VIMVVOFUYMCLHU-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-13-15-12(14(17)18-5-2)9-16(13)10(3)11-7-6-8-11/h9-11H,4-8H2,1-3H3/t10-/m1/s1.
What are the key properties of ethyl 1-[(1R)-1-cyclobutylethyl]-2-ethylimidazole-4-carboxylate?
ethyl 1-[(1R)-1-cyclobutylethyl]-2-ethylimidazole-4-carboxylate has a molecular weight of 250.34 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(1R)-1-cyclobutylethyl]-2-ethylimidazole-4-carboxylate is sourced from PubChem (CID 175860972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).