methyl 5-amino-3-(2-methoxyethyl)-2-oxo-4H-imidazole-4-carboxylate

C8H13N3O4 — CID 79967469

IUPACmethyl 5-amino-3-(2-methoxyethyl)-2-oxo-4H-imidazole-4-carboxylate
SMILESCOCCN1C(=O)N=C(N)C1C(=O)OC
InChIInChI=1S/C8H13N3O4/c1-14-4-3-11-5(7(12)15-2)6(9)10-8(11)13/h5H,3-4H2,1-2H3,(H2,9,10,13)
InChIKeyYFDZFUWKFNHFQE-UHFFFAOYSA-N
MW215.21 g/mol
LogP-1.03
Rot. Bonds4

About methyl 5-amino-3-(2-methoxyethyl)-2-oxo-4H-imidazole-4-carboxylate

methyl 5-amino-3-(2-methoxyethyl)-2-oxo-4H-imidazole-4-carboxylate (PubChem CID 79967469) has the molecular formula C8H13N3O4 and a molecular weight of 215.21 g/mol. Its IUPAC name is methyl 5-amino-3-(2-methoxyethyl)-2-oxo-4H-imidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-3-(2-methoxyethyl)-2-oxo-4H-imidazole-4-carboxylate
PubChem CID79967469
Molecular FormulaC8H13N3O4
Molecular Weight215.21 g/mol
Exact Mass215.09
IUPAC Namemethyl 5-amino-3-(2-methoxyethyl)-2-oxo-4H-imidazole-4-carboxylate
SMILESCOCCN1C(=O)N=C(N)C1C(=O)OC
InChIInChI=1S/C8H13N3O4/c1-14-4-3-11-5(7(12)15-2)6(9)10-8(11)13/h5H,3-4H2,1-2H3,(H2,9,10,13)
InChIKeyYFDZFUWKFNHFQE-UHFFFAOYSA-N
XLogP-1.03
TPSA94.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 5-1.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-3-(2-methoxyethyl)-2-oxo-4H-imidazole-4-carboxylate?
The IUPAC name of methyl 5-amino-3-(2-methoxyethyl)-2-oxo-4H-imidazole-4-carboxylate (CID 79967469) is methyl 5-amino-3-(2-methoxyethyl)-2-oxo-4H-imidazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-3-(2-methoxyethyl)-2-oxo-4H-imidazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-3-(2-methoxyethyl)-2-oxo-4H-imidazole-4-carboxylate is COCCN1C(=O)N=C(N)C1C(=O)OC.
What is the InChIKey of methyl 5-amino-3-(2-methoxyethyl)-2-oxo-4H-imidazole-4-carboxylate?
The InChIKey is YFDZFUWKFNHFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O4/c1-14-4-3-11-5(7(12)15-2)6(9)10-8(11)13/h5H,3-4H2,1-2H3,(H2,9,10,13).
What are the key properties of methyl 5-amino-3-(2-methoxyethyl)-2-oxo-4H-imidazole-4-carboxylate?
methyl 5-amino-3-(2-methoxyethyl)-2-oxo-4H-imidazole-4-carboxylate has a molecular weight of 215.21 g/mol, XLogP of -1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-3-(2-methoxyethyl)-2-oxo-4H-imidazole-4-carboxylate is sourced from PubChem (CID 79967469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).