methyl 5-amino-1-(2-ethoxy-2-oxoethyl)imidazole-4-carboxylate

C9H13N3O4 — CID 103544849

IUPACmethyl 5-amino-1-(2-ethoxy-2-oxoethyl)imidazole-4-carboxylate
SMILESCCOC(=O)Cn1cnc(C(=O)OC)c1N
InChIInChI=1S/C9H13N3O4/c1-3-16-6(13)4-12-5-11-7(8(12)10)9(14)15-2/h5H,3-4,10H2,1-2H3
InChIKeyAKHSSHLZQJYCJQ-UHFFFAOYSA-N
MW227.22 g/mol
LogP-0.19
Rot. Bonds4

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

methyl 5-amino-1-(2-ethoxy-2-oxoethyl)imidazole-4-carboxylate (PubChem CID 103544849) has the molecular formula C9H13N3O4 and a molecular weight of 227.22 g/mol. Its IUPAC name is methyl 5-amino-1-(2-ethoxy-2-oxoethyl)imidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-1-(2-ethoxy-2-oxoethyl)imidazole-4-carboxylate
PubChem CID103544849
Molecular FormulaC9H13N3O4
Molecular Weight227.22 g/mol
Exact Mass227.09
IUPAC Namemethyl 5-amino-1-(2-ethoxy-2-oxoethyl)imidazole-4-carboxylate
SMILESCCOC(=O)Cn1cnc(C(=O)OC)c1N
InChIInChI=1S/C9H13N3O4/c1-3-16-6(13)4-12-5-11-7(8(12)10)9(14)15-2/h5H,3-4,10H2,1-2H3
InChIKeyAKHSSHLZQJYCJQ-UHFFFAOYSA-N
XLogP-0.19
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 5-amino-1-(2,3-dimethylbutyl)imidazole-4-carboxylate
CID 103545613
methyl 5-amino-1-[(2-methylcyclopropyl)methyl]imidazole-4-carboxylate
CID 103546094
methyl 5-amino-1-pent-3-ynylimidazole-4-carboxylate
CID 103546247
ethyl 5-amino-1-(2,2,2-trifluoroethyl)imidazole-4-carboxylate
CID 53418332
methyl 5-amino-1-[2-(1,3-thiazol-2-yl)ethyl]imidazole-4-carboxylate
CID 103545450
ethyl 5-amino-1-(2-pyrrolidin-1-ylethyl)imidazole-4-carboxylate
CID 55102206
methyl 5-amino-1-(2-ethoxy-2-oxoethyl)-2-methylimidazole-4-carboxylate
CID 103544847
methyl 5-amino-1-[2-(2-methylphenyl)ethyl]imidazole-4-carboxylate
CID 103545766
ethyl 3-(2-methoxy-2-oxoethyl)-5-methylimidazole-4-carboxylate
CID 101483745
ethyl 5-amino-1-[(4-methoxyphenyl)methyl]imidazole-4-carboxylate
CID 12666140
methyl 5-amino-1-(2-methyl-3-methylsulfanylpropyl)imidazole-4-carboxylate
CID 103545538
ethyl 5-amino-1-[2-(ethylsulfamoyl)ethyl]imidazole-4-carboxylate
CID 106338375

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-1-(2-ethoxy-2-oxoethyl)imidazole-4-carboxylate?
The IUPAC name of methyl 5-amino-1-(2-ethoxy-2-oxoethyl)imidazole-4-carboxylate (CID 103544849) is methyl 5-amino-1-(2-ethoxy-2-oxoethyl)imidazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-1-(2-ethoxy-2-oxoethyl)imidazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-1-(2-ethoxy-2-oxoethyl)imidazole-4-carboxylate is CCOC(=O)Cn1cnc(C(=O)OC)c1N.
What is the InChIKey of methyl 5-amino-1-(2-ethoxy-2-oxoethyl)imidazole-4-carboxylate?
The InChIKey is AKHSSHLZQJYCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4/c1-3-16-6(13)4-12-5-11-7(8(12)10)9(14)15-2/h5H,3-4,10H2,1-2H3.
What are the key properties of methyl 5-amino-1-(2-ethoxy-2-oxoethyl)imidazole-4-carboxylate?
methyl 5-amino-1-(2-ethoxy-2-oxoethyl)imidazole-4-carboxylate has a molecular weight of 227.22 g/mol, XLogP of -0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-1-(2-ethoxy-2-oxoethyl)imidazole-4-carboxylate is sourced from PubChem (CID 103544849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).