methyl 5-amino-1-(1-azabicyclo[2.2.2]octan-3-yl)-2-ethylimidazole-4-carboxylate

C14H22N4O2 — CID 103544317

IUPACmethyl 5-amino-1-(1-azabicyclo[2.2.2]octan-3-yl)-2-ethylimidazole-4-carboxylate
SMILESCCc1nc(C(=O)OC)c(N)n1C1CN2CCC1CC2
InChIInChI=1S/C14H22N4O2/c1-3-11-16-12(14(19)20-2)13(15)18(11)10-8-17-6-4-9(10)5-7-17/h9-10H,3-8,15H2,1-2H3
InChIKeyBWRNQBCOUJOKMK-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.08
Rot. Bonds3

About methyl 5-amino-1-(1-azabicyclo[2.2.2]octan-3-yl)-2-ethylimidazole-4-carboxylate

methyl 5-amino-1-(1-azabicyclo[2.2.2]octan-3-yl)-2-ethylimidazole-4-carboxylate (PubChem CID 103544317) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is methyl 5-amino-1-(1-azabicyclo[2.2.2]octan-3-yl)-2-ethylimidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-1-(1-azabicyclo[2.2.2]octan-3-yl)-2-ethylimidazole-4-carboxylate
PubChem CID103544317
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Namemethyl 5-amino-1-(1-azabicyclo[2.2.2]octan-3-yl)-2-ethylimidazole-4-carboxylate
SMILESCCc1nc(C(=O)OC)c(N)n1C1CN2CCC1CC2
InChIInChI=1S/C14H22N4O2/c1-3-11-16-12(14(19)20-2)13(15)18(11)10-8-17-6-4-9(10)5-7-17/h9-10H,3-8,15H2,1-2H3
InChIKeyBWRNQBCOUJOKMK-UHFFFAOYSA-N
XLogP1.08
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 5-amino-1-(1-azabicyclo[2.2.2]octan-3-yl)-2-ethylimidazole-4-carboxylate with MolForge

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Related Compounds

methyl 5-amino-1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-ethylimidazole-4-carboxylate
CID 103545863
methyl 5-amino-2-ethyl-1-[(4-methylmorpholin-2-yl)methyl]imidazole-4-carboxylate
CID 103545735
ethyl 5-amino-2-ethyl-1-(1-methyl-6-oxopiperidin-3-yl)imidazole-4-carboxylate
CID 64669606
ethyl 5-amino-2-ethyl-1-(oxolan-3-yl)imidazole-4-carboxylate
CID 80715218
methyl 5-amino-2-ethyl-1-[(2-methylcyclopentyl)methyl]imidazole-4-carboxylate
CID 107420468
methyl 2-ethyl-1,5-dimethylimidazole-4-carboxylate
CID 21334856
methyl 5-amino-2-ethyl-1-(2,2,2-trifluoroethyl)imidazole-4-carboxylate
CID 103544613
methyl 5-amino-2-ethyl-1-[1-(oxolan-3-yl)ethyl]imidazole-4-carboxylate
CID 103546234
ethyl 5-amino-2-ethyl-1-(2-oxopiperidin-3-yl)imidazole-4-carboxylate
CID 62093443
methyl 5-amino-2-ethyl-1-[4-(2-methoxyethoxy)butyl]imidazole-4-carboxylate
CID 103546091
methyl 5-amino-1-(3-butoxypropyl)-2-ethylimidazole-4-carboxylate
CID 103546153
methyl 5-amino-1-(4-amino-4-oxobutyl)-2-ethylimidazole-4-carboxylate
CID 103544856

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-1-(1-azabicyclo[2.2.2]octan-3-yl)-2-ethylimidazole-4-carboxylate?
The IUPAC name of methyl 5-amino-1-(1-azabicyclo[2.2.2]octan-3-yl)-2-ethylimidazole-4-carboxylate (CID 103544317) is methyl 5-amino-1-(1-azabicyclo[2.2.2]octan-3-yl)-2-ethylimidazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-1-(1-azabicyclo[2.2.2]octan-3-yl)-2-ethylimidazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-1-(1-azabicyclo[2.2.2]octan-3-yl)-2-ethylimidazole-4-carboxylate is CCc1nc(C(=O)OC)c(N)n1C1CN2CCC1CC2.
What is the InChIKey of methyl 5-amino-1-(1-azabicyclo[2.2.2]octan-3-yl)-2-ethylimidazole-4-carboxylate?
The InChIKey is BWRNQBCOUJOKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-3-11-16-12(14(19)20-2)13(15)18(11)10-8-17-6-4-9(10)5-7-17/h9-10H,3-8,15H2,1-2H3.
What are the key properties of methyl 5-amino-1-(1-azabicyclo[2.2.2]octan-3-yl)-2-ethylimidazole-4-carboxylate?
methyl 5-amino-1-(1-azabicyclo[2.2.2]octan-3-yl)-2-ethylimidazole-4-carboxylate has a molecular weight of 278.36 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-1-(1-azabicyclo[2.2.2]octan-3-yl)-2-ethylimidazole-4-carboxylate is sourced from PubChem (CID 103544317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).