ethyl 5-amino-1-(3-ethylpentan-3-yl)-2-methylimidazole-4-carboxylate

C14H25N3O2 — CID 65038959

IUPACethyl 5-amino-1-(3-ethylpentan-3-yl)-2-methylimidazole-4-carboxylate
SMILESCCOC(=O)c1nc(C)n(C(CC)(CC)CC)c1N
InChIInChI=1S/C14H25N3O2/c1-6-14(7-2,8-3)17-10(5)16-11(12(17)15)13(18)19-9-4/h6-9,15H2,1-5H3
InChIKeyOVBJIFXSELAXIC-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.88
Rot. Bonds6

About ethyl 5-amino-1-(3-ethylpentan-3-yl)-2-methylimidazole-4-carboxylate

ethyl 5-amino-1-(3-ethylpentan-3-yl)-2-methylimidazole-4-carboxylate (PubChem CID 65038959) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is ethyl 5-amino-1-(3-ethylpentan-3-yl)-2-methylimidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-1-(3-ethylpentan-3-yl)-2-methylimidazole-4-carboxylate
PubChem CID65038959
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Nameethyl 5-amino-1-(3-ethylpentan-3-yl)-2-methylimidazole-4-carboxylate
SMILESCCOC(=O)c1nc(C)n(C(CC)(CC)CC)c1N
InChIInChI=1S/C14H25N3O2/c1-6-14(7-2,8-3)17-10(5)16-11(12(17)15)13(18)19-9-4/h6-9,15H2,1-5H3
InChIKeyOVBJIFXSELAXIC-UHFFFAOYSA-N
XLogP2.88
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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ethyl 5-amino-2-methyl-1-(1,2-oxazol-4-yl)imidazole-4-carboxylate
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ethyl 5-amino-1-(2,6-dichloro-4-fluorophenyl)-2-methylimidazole-4-carboxylate
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ethyl 5-amino-2-methyl-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]imidazole-4-carboxylate
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ethyl 5-amino-2-methyl-1-(1,2-oxazol-5-ylmethyl)imidazole-4-carboxylate
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ethyl 5-amino-2-methyl-1-(1,3-thiazol-4-ylmethyl)imidazole-4-carboxylate
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ethyl 5-amino-1-[(1,4-dimethylpiperidin-4-yl)methyl]-2-methylimidazole-4-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-1-(3-ethylpentan-3-yl)-2-methylimidazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-1-(3-ethylpentan-3-yl)-2-methylimidazole-4-carboxylate (CID 65038959) is ethyl 5-amino-1-(3-ethylpentan-3-yl)-2-methylimidazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-1-(3-ethylpentan-3-yl)-2-methylimidazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-1-(3-ethylpentan-3-yl)-2-methylimidazole-4-carboxylate is CCOC(=O)c1nc(C)n(C(CC)(CC)CC)c1N.
What is the InChIKey of ethyl 5-amino-1-(3-ethylpentan-3-yl)-2-methylimidazole-4-carboxylate?
The InChIKey is OVBJIFXSELAXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-6-14(7-2,8-3)17-10(5)16-11(12(17)15)13(18)19-9-4/h6-9,15H2,1-5H3.
What are the key properties of ethyl 5-amino-1-(3-ethylpentan-3-yl)-2-methylimidazole-4-carboxylate?
ethyl 5-amino-1-(3-ethylpentan-3-yl)-2-methylimidazole-4-carboxylate has a molecular weight of 267.37 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-1-(3-ethylpentan-3-yl)-2-methylimidazole-4-carboxylate is sourced from PubChem (CID 65038959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).