ethyl 5-amino-2-ethyl-1-(2-methoxypropyl)imidazole-4-carboxylate

C12H21N3O3 — CID 102700414

IUPACethyl 5-amino-2-ethyl-1-(2-methoxypropyl)imidazole-4-carboxylate
SMILESCCOC(=O)c1nc(CC)n(CC(C)OC)c1N
InChIInChI=1S/C12H21N3O3/c1-5-9-14-10(12(16)18-6-2)11(13)15(9)7-8(3)17-4/h8H,5-7,13H2,1-4H3
InChIKeyYSDOELLXTNCMLX-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.24
Rot. Bonds6

About ethyl 5-amino-2-ethyl-1-(2-methoxypropyl)imidazole-4-carboxylate

ethyl 5-amino-2-ethyl-1-(2-methoxypropyl)imidazole-4-carboxylate (PubChem CID 102700414) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is ethyl 5-amino-2-ethyl-1-(2-methoxypropyl)imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-2-ethyl-1-(2-methoxypropyl)imidazole-4-carboxylate
PubChem CID102700414
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Nameethyl 5-amino-2-ethyl-1-(2-methoxypropyl)imidazole-4-carboxylate
SMILESCCOC(=O)c1nc(CC)n(CC(C)OC)c1N
InChIInChI=1S/C12H21N3O3/c1-5-9-14-10(12(16)18-6-2)11(13)15(9)7-8(3)17-4/h8H,5-7,13H2,1-4H3
InChIKeyYSDOELLXTNCMLX-UHFFFAOYSA-N
XLogP1.24
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-amino-2-ethyl-1-(3-propoxypropyl)imidazole-4-carboxylate
CID 82946637
methyl 5-amino-2-ethyl-1-[2-oxo-2-(propan-2-ylamino)ethyl]imidazole-4-carboxylate
CID 103544811
ethyl 5-amino-2-ethyl-1-[2-(1H-imidazol-5-yl)ethyl]imidazole-4-carboxylate
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ethyl 5-amino-2-ethyl-1-[(2-methylpyrazol-3-yl)methyl]imidazole-4-carboxylate
CID 63302991
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CID 103546188
methyl 5-amino-2-ethyl-1-(2,2,2-trifluoroethyl)imidazole-4-carboxylate
CID 103544613
methyl 5-amino-1-(4-amino-4-oxobutyl)-2-ethylimidazole-4-carboxylate
CID 103544856
methyl 5-amino-2-ethyl-1-(2,2,3,3-tetrafluoropropyl)imidazole-4-carboxylate
CID 106294832
methyl 5-amino-2-ethyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]imidazole-4-carboxylate
CID 103545137
ethyl 5-amino-2-ethyl-1-[1-(trifluoromethyl)cyclopropyl]imidazole-4-carboxylate
CID 106211501
ethyl 5-amino-2-ethyl-1-pyrimidin-5-ylimidazole-4-carboxylate
CID 107589805
methyl 5-amino-2-ethyl-1-(2-methylsulfinylethyl)imidazole-4-carboxylate
CID 103546145

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-ethyl-1-(2-methoxypropyl)imidazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-2-ethyl-1-(2-methoxypropyl)imidazole-4-carboxylate (CID 102700414) is ethyl 5-amino-2-ethyl-1-(2-methoxypropyl)imidazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-2-ethyl-1-(2-methoxypropyl)imidazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-2-ethyl-1-(2-methoxypropyl)imidazole-4-carboxylate is CCOC(=O)c1nc(CC)n(CC(C)OC)c1N.
What is the InChIKey of ethyl 5-amino-2-ethyl-1-(2-methoxypropyl)imidazole-4-carboxylate?
The InChIKey is YSDOELLXTNCMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-5-9-14-10(12(16)18-6-2)11(13)15(9)7-8(3)17-4/h8H,5-7,13H2,1-4H3.
What are the key properties of ethyl 5-amino-2-ethyl-1-(2-methoxypropyl)imidazole-4-carboxylate?
ethyl 5-amino-2-ethyl-1-(2-methoxypropyl)imidazole-4-carboxylate has a molecular weight of 255.32 g/mol, XLogP of 1.24, 6 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-(2-methoxypropyl)imidazole-4-carboxylate is sourced from PubChem (CID 102700414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).