methyl 5-amino-1-(4-amino-4-oxobutyl)-2-ethylimidazole-4-carboxylate

C11H18N4O3 — CID 103544856

IUPACmethyl 5-amino-1-(4-amino-4-oxobutyl)-2-ethylimidazole-4-carboxylate
SMILESCCc1nc(C(=O)OC)c(N)n1CCCC(N)=O
InChIInChI=1S/C11H18N4O3/c1-3-8-14-9(11(17)18-2)10(13)15(8)6-4-5-7(12)16/h3-6,13H2,1-2H3,(H2,12,16)
InChIKeyKBBSVYTWDNLHCA-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.08
Rot. Bonds6

About methyl 5-amino-1-(4-amino-4-oxobutyl)-2-ethylimidazole-4-carboxylate

methyl 5-amino-1-(4-amino-4-oxobutyl)-2-ethylimidazole-4-carboxylate (PubChem CID 103544856) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is methyl 5-amino-1-(4-amino-4-oxobutyl)-2-ethylimidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-1-(4-amino-4-oxobutyl)-2-ethylimidazole-4-carboxylate
PubChem CID103544856
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Namemethyl 5-amino-1-(4-amino-4-oxobutyl)-2-ethylimidazole-4-carboxylate
SMILESCCc1nc(C(=O)OC)c(N)n1CCCC(N)=O
InChIInChI=1S/C11H18N4O3/c1-3-8-14-9(11(17)18-2)10(13)15(8)6-4-5-7(12)16/h3-6,13H2,1-2H3,(H2,12,16)
InChIKeyKBBSVYTWDNLHCA-UHFFFAOYSA-N
XLogP0.08
TPSA113.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-2-ethyl-1-(2-methylsulfinylethyl)imidazole-4-carboxylate
CID 103546145
methyl 5-amino-2-ethyl-1-(3-methylsulfanylbutyl)imidazole-4-carboxylate
CID 103546188
methyl 5-amino-2-ethyl-1-(2,2,2-trifluoroethyl)imidazole-4-carboxylate
CID 103544613
ethyl 5-amino-2-ethyl-1-(3-propoxypropyl)imidazole-4-carboxylate
CID 82946637
methyl 5-amino-2-ethyl-1-[(4-fluorophenyl)methyl]imidazole-4-carboxylate
CID 103544322
methyl 5-amino-2-ethyl-1-[(2-ethylphenyl)methyl]imidazole-4-carboxylate
CID 103545625
methyl 5-amino-2-ethyl-1-[2-oxo-2-(propan-2-ylamino)ethyl]imidazole-4-carboxylate
CID 103544811
methyl 5-amino-2-ethyl-1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]imidazole-4-carboxylate
CID 106302530
methyl 5-amino-1-[2-(cyclohexen-1-yl)ethyl]-2-ethylimidazole-4-carboxylate
CID 107853736
methyl 5-amino-2-ethyl-1-(2,2,3,3-tetrafluoropropyl)imidazole-4-carboxylate
CID 106294832

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-1-(4-amino-4-oxobutyl)-2-ethylimidazole-4-carboxylate?
The IUPAC name of methyl 5-amino-1-(4-amino-4-oxobutyl)-2-ethylimidazole-4-carboxylate (CID 103544856) is methyl 5-amino-1-(4-amino-4-oxobutyl)-2-ethylimidazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-1-(4-amino-4-oxobutyl)-2-ethylimidazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-1-(4-amino-4-oxobutyl)-2-ethylimidazole-4-carboxylate is CCc1nc(C(=O)OC)c(N)n1CCCC(N)=O.
What is the InChIKey of methyl 5-amino-1-(4-amino-4-oxobutyl)-2-ethylimidazole-4-carboxylate?
The InChIKey is KBBSVYTWDNLHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-3-8-14-9(11(17)18-2)10(13)15(8)6-4-5-7(12)16/h3-6,13H2,1-2H3,(H2,12,16).
What are the key properties of methyl 5-amino-1-(4-amino-4-oxobutyl)-2-ethylimidazole-4-carboxylate?
methyl 5-amino-1-(4-amino-4-oxobutyl)-2-ethylimidazole-4-carboxylate has a molecular weight of 254.29 g/mol, XLogP of 0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-1-(4-amino-4-oxobutyl)-2-ethylimidazole-4-carboxylate is sourced from PubChem (CID 103544856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).