ethyl 5-amino-2-ethyl-1-(oxolan-3-yl)imidazole-4-carboxylate

C12H19N3O3 — CID 80715218

IUPACethyl 5-amino-2-ethyl-1-(oxolan-3-yl)imidazole-4-carboxylate
SMILESCCOC(=O)c1nc(CC)n(C2CCOC2)c1N
InChIInChI=1S/C12H19N3O3/c1-3-9-14-10(12(16)18-4-2)11(13)15(9)8-5-6-17-7-8/h8H,3-7,13H2,1-2H3
InChIKeyUQQAKYWHRBPEOD-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.17
Rot. Bonds4

About ethyl 5-amino-2-ethyl-1-(oxolan-3-yl)imidazole-4-carboxylate

ethyl 5-amino-2-ethyl-1-(oxolan-3-yl)imidazole-4-carboxylate (PubChem CID 80715218) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is ethyl 5-amino-2-ethyl-1-(oxolan-3-yl)imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-2-ethyl-1-(oxolan-3-yl)imidazole-4-carboxylate
PubChem CID80715218
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Nameethyl 5-amino-2-ethyl-1-(oxolan-3-yl)imidazole-4-carboxylate
SMILESCCOC(=O)c1nc(CC)n(C2CCOC2)c1N
InChIInChI=1S/C12H19N3O3/c1-3-9-14-10(12(16)18-4-2)11(13)15(9)8-5-6-17-7-8/h8H,3-7,13H2,1-2H3
InChIKeyUQQAKYWHRBPEOD-UHFFFAOYSA-N
XLogP1.17
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-amino-2-ethyl-1-(1-methyl-6-oxopiperidin-3-yl)imidazole-4-carboxylate
CID 64669606
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CID 112707165
ethyl 5-amino-2-ethyl-1-(2-oxopiperidin-3-yl)imidazole-4-carboxylate
CID 62093443
methyl 5-amino-2-ethyl-1-[1-(oxolan-3-yl)ethyl]imidazole-4-carboxylate
CID 103546234
ethyl 5-(aminomethyl)-1-(oxan-4-yl)triazole-4-carboxylate
CID 103111751
ethyl 5-amino-2-(oxolan-3-yl)-1,3-oxazole-4-carboxylate
CID 66010377
methyl 5-amino-1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-ethylimidazole-4-carboxylate
CID 103545863
ethyl 5-methyl-4-(oxan-3-yl)-1,2,4-triazole-3-carboxylate
CID 83232663
ethyl 5-amino-2-ethyl-1-(2-methoxypropyl)imidazole-4-carboxylate
CID 102700414
ethyl 5-amino-2-ethyl-1-(4-methylpiperazin-1-yl)imidazole-4-carboxylate
CID 83023157
methyl 5-amino-1-(1-azabicyclo[2.2.2]octan-3-yl)-2-ethylimidazole-4-carboxylate
CID 103544317
ethyl 5-(1-methylimidazol-2-yl)-1-(oxolan-3-yl)triazole-4-carboxylate
CID 103116687

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-ethyl-1-(oxolan-3-yl)imidazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-2-ethyl-1-(oxolan-3-yl)imidazole-4-carboxylate (CID 80715218) is ethyl 5-amino-2-ethyl-1-(oxolan-3-yl)imidazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-2-ethyl-1-(oxolan-3-yl)imidazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-2-ethyl-1-(oxolan-3-yl)imidazole-4-carboxylate is CCOC(=O)c1nc(CC)n(C2CCOC2)c1N.
What is the InChIKey of ethyl 5-amino-2-ethyl-1-(oxolan-3-yl)imidazole-4-carboxylate?
The InChIKey is UQQAKYWHRBPEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-3-9-14-10(12(16)18-4-2)11(13)15(9)8-5-6-17-7-8/h8H,3-7,13H2,1-2H3.
What are the key properties of ethyl 5-amino-2-ethyl-1-(oxolan-3-yl)imidazole-4-carboxylate?
ethyl 5-amino-2-ethyl-1-(oxolan-3-yl)imidazole-4-carboxylate has a molecular weight of 253.30 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-ethyl-1-(oxolan-3-yl)imidazole-4-carboxylate is sourced from PubChem (CID 80715218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).