methyl 5-amino-1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-ethylimidazole-4-carboxylate

C15H24N4O2 — CID 103545863

IUPACmethyl 5-amino-1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-ethylimidazole-4-carboxylate
SMILESCCc1nc(C(=O)OC)c(N)n1C1CCN2CCCC2C1
InChIInChI=1S/C15H24N4O2/c1-3-12-17-13(15(20)21-2)14(16)19(12)11-6-8-18-7-4-5-10(18)9-11/h10-11H,3-9,16H2,1-2H3
InChIKeyMMGRPUDAIRVSGN-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.61
Rot. Bonds3

About methyl 5-amino-1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-ethylimidazole-4-carboxylate

methyl 5-amino-1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-ethylimidazole-4-carboxylate (PubChem CID 103545863) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is methyl 5-amino-1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-ethylimidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-ethylimidazole-4-carboxylate
PubChem CID103545863
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Namemethyl 5-amino-1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-ethylimidazole-4-carboxylate
SMILESCCc1nc(C(=O)OC)c(N)n1C1CCN2CCCC2C1
InChIInChI=1S/C15H24N4O2/c1-3-12-17-13(15(20)21-2)14(16)19(12)11-6-8-18-7-4-5-10(18)9-11/h10-11H,3-9,16H2,1-2H3
InChIKeyMMGRPUDAIRVSGN-UHFFFAOYSA-N
XLogP1.61
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 5-amino-1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-ethylimidazole-4-carboxylate with MolForge

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Related Compounds

methyl 5-amino-1-(1-azabicyclo[2.2.2]octan-3-yl)-2-ethylimidazole-4-carboxylate
CID 103544317
ethyl 5-amino-2-ethyl-1-(oxolan-3-yl)imidazole-4-carboxylate
CID 80715218
ethyl 5-amino-2-ethyl-1-(1-methyl-6-oxopiperidin-3-yl)imidazole-4-carboxylate
CID 64669606
methyl 5-amino-2-ethyl-1-[(2-methylcyclopentyl)methyl]imidazole-4-carboxylate
CID 107420468
methyl 5-amino-2-methyl-1-(3-methylcyclopentyl)imidazole-4-carboxylate
CID 103546279
methyl 5-amino-1-(3,4-dimethylcyclohexyl)-2-methylimidazole-4-carboxylate
CID 103545632
methyl 5-amino-1-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethylimidazole-4-carboxylate
CID 103546304
ethyl 5-amino-2-ethyl-1-(2-oxopiperidin-3-yl)imidazole-4-carboxylate
CID 62093443
methyl 2-ethyl-1,5-dimethylimidazole-4-carboxylate
CID 21334856
methyl 5-amino-2-ethyl-1-(1-ethylpyrazol-4-yl)imidazole-4-carboxylate
CID 103544795
1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 115948940
methyl 5-amino-2-ethyl-1-(2,2,2-trifluoroethyl)imidazole-4-carboxylate
CID 103544613

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-ethylimidazole-4-carboxylate?
The IUPAC name of methyl 5-amino-1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-ethylimidazole-4-carboxylate (CID 103545863) is methyl 5-amino-1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-ethylimidazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-ethylimidazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-ethylimidazole-4-carboxylate is CCc1nc(C(=O)OC)c(N)n1C1CCN2CCCC2C1.
What is the InChIKey of methyl 5-amino-1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-ethylimidazole-4-carboxylate?
The InChIKey is MMGRPUDAIRVSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-3-12-17-13(15(20)21-2)14(16)19(12)11-6-8-18-7-4-5-10(18)9-11/h10-11H,3-9,16H2,1-2H3.
What are the key properties of methyl 5-amino-1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-ethylimidazole-4-carboxylate?
methyl 5-amino-1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-ethylimidazole-4-carboxylate has a molecular weight of 292.38 g/mol, XLogP of 1.61, 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-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-ethylimidazole-4-carboxylate is sourced from PubChem (CID 103545863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).