methyl 5-amino-1-(2-amino-2-oxoethyl)-2-methylimidazole-4-carboxylate

C8H12N4O3 — CID 103544391

IUPACmethyl 5-amino-1-(2-amino-2-oxoethyl)-2-methylimidazole-4-carboxylate
SMILESCOC(=O)c1nc(C)n(CC(N)=O)c1N
InChIInChI=1S/C8H12N4O3/c1-4-11-6(8(14)15-2)7(10)12(4)3-5(9)13/h3,10H2,1-2H3,(H2,9,13)
InChIKeySKVZVGBYTMUZRM-UHFFFAOYSA-N
MW212.21 g/mol
LogP-0.95
Rot. Bonds3

About methyl 5-amino-1-(2-amino-2-oxoethyl)-2-methylimidazole-4-carboxylate

methyl 5-amino-1-(2-amino-2-oxoethyl)-2-methylimidazole-4-carboxylate (PubChem CID 103544391) has the molecular formula C8H12N4O3 and a molecular weight of 212.21 g/mol. Its IUPAC name is methyl 5-amino-1-(2-amino-2-oxoethyl)-2-methylimidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-1-(2-amino-2-oxoethyl)-2-methylimidazole-4-carboxylate
PubChem CID103544391
Molecular FormulaC8H12N4O3
Molecular Weight212.21 g/mol
Exact Mass212.09
IUPAC Namemethyl 5-amino-1-(2-amino-2-oxoethyl)-2-methylimidazole-4-carboxylate
SMILESCOC(=O)c1nc(C)n(CC(N)=O)c1N
InChIInChI=1S/C8H12N4O3/c1-4-11-6(8(14)15-2)7(10)12(4)3-5(9)13/h3,10H2,1-2H3,(H2,9,13)
InChIKeySKVZVGBYTMUZRM-UHFFFAOYSA-N
XLogP-0.95
TPSA113.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-amino-1-(2-ethoxy-2-oxoethyl)-2-methylimidazole-4-carboxylate
CID 103544847
methyl 5-amino-1-[2-(2-amino-2-oxoethoxy)ethyl]-2-methylimidazole-4-carboxylate
CID 114162703
methyl 5-amino-2-methyl-1-(2-methylsulfanylethyl)imidazole-4-carboxylate
CID 103545530
methyl 5-amino-2-methyl-1-[(E)-pent-3-enyl]imidazole-4-carboxylate
CID 103546104
methyl 5-amino-1-[3-(ethylamino)-3-oxopropyl]-2-methylimidazole-4-carboxylate
CID 103546031
methyl 5-amino-1-[3-(methanesulfonamido)propyl]-2-methylimidazole-4-carboxylate
CID 106338365
methyl 5-amino-2-methyl-1-[(1-methylimidazol-2-yl)methyl]imidazole-4-carboxylate
CID 103545463
methyl 5-amino-2-methyl-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazole-4-carboxylate
CID 103545822
methyl 5-amino-1-(4-amino-4-oxobutyl)-2-ethylimidazole-4-carboxylate
CID 103544856
methyl 5-amino-1-[2-(5-bromothiophen-2-yl)ethyl]-2-methylimidazole-4-carboxylate
CID 106039173
methyl 4-amino-1-(2-amino-2-oxoethyl)pyrazole-3-carboxylate
CID 107344544
dimethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404197

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-1-(2-amino-2-oxoethyl)-2-methylimidazole-4-carboxylate?
The IUPAC name of methyl 5-amino-1-(2-amino-2-oxoethyl)-2-methylimidazole-4-carboxylate (CID 103544391) is methyl 5-amino-1-(2-amino-2-oxoethyl)-2-methylimidazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-1-(2-amino-2-oxoethyl)-2-methylimidazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-1-(2-amino-2-oxoethyl)-2-methylimidazole-4-carboxylate is COC(=O)c1nc(C)n(CC(N)=O)c1N.
What is the InChIKey of methyl 5-amino-1-(2-amino-2-oxoethyl)-2-methylimidazole-4-carboxylate?
The InChIKey is SKVZVGBYTMUZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3/c1-4-11-6(8(14)15-2)7(10)12(4)3-5(9)13/h3,10H2,1-2H3,(H2,9,13).
What are the key properties of methyl 5-amino-1-(2-amino-2-oxoethyl)-2-methylimidazole-4-carboxylate?
methyl 5-amino-1-(2-amino-2-oxoethyl)-2-methylimidazole-4-carboxylate has a molecular weight of 212.21 g/mol, XLogP of -0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-1-(2-amino-2-oxoethyl)-2-methylimidazole-4-carboxylate is sourced from PubChem (CID 103544391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).