methyl 5-amino-3-ethyl-2-oxo-4H-imidazole-4-carboxylate

C7H11N3O3 — CID 79966897

IUPACmethyl 5-amino-3-ethyl-2-oxo-4H-imidazole-4-carboxylate
SMILESCCN1C(=O)N=C(N)C1C(=O)OC
InChIInChI=1S/C7H11N3O3/c1-3-10-4(6(11)13-2)5(8)9-7(10)12/h4H,3H2,1-2H3,(H2,8,9,12)
InChIKeyGMHLKAZPHVOKDM-UHFFFAOYSA-N
MW185.18 g/mol
LogP-0.66
Rot. Bonds2

About methyl 5-amino-3-ethyl-2-oxo-4H-imidazole-4-carboxylate

methyl 5-amino-3-ethyl-2-oxo-4H-imidazole-4-carboxylate (PubChem CID 79966897) has the molecular formula C7H11N3O3 and a molecular weight of 185.18 g/mol. Its IUPAC name is methyl 5-amino-3-ethyl-2-oxo-4H-imidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-3-ethyl-2-oxo-4H-imidazole-4-carboxylate
PubChem CID79966897
Molecular FormulaC7H11N3O3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC Namemethyl 5-amino-3-ethyl-2-oxo-4H-imidazole-4-carboxylate
SMILESCCN1C(=O)N=C(N)C1C(=O)OC
InChIInChI=1S/C7H11N3O3/c1-3-10-4(6(11)13-2)5(8)9-7(10)12/h4H,3H2,1-2H3,(H2,8,9,12)
InChIKeyGMHLKAZPHVOKDM-UHFFFAOYSA-N
XLogP-0.66
TPSA84.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-3-ethyl-2-oxo-4H-imidazole-4-carboxylate?
The IUPAC name of methyl 5-amino-3-ethyl-2-oxo-4H-imidazole-4-carboxylate (CID 79966897) is methyl 5-amino-3-ethyl-2-oxo-4H-imidazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-3-ethyl-2-oxo-4H-imidazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-3-ethyl-2-oxo-4H-imidazole-4-carboxylate is CCN1C(=O)N=C(N)C1C(=O)OC.
What is the InChIKey of methyl 5-amino-3-ethyl-2-oxo-4H-imidazole-4-carboxylate?
The InChIKey is GMHLKAZPHVOKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3/c1-3-10-4(6(11)13-2)5(8)9-7(10)12/h4H,3H2,1-2H3,(H2,8,9,12).
What are the key properties of methyl 5-amino-3-ethyl-2-oxo-4H-imidazole-4-carboxylate?
methyl 5-amino-3-ethyl-2-oxo-4H-imidazole-4-carboxylate has a molecular weight of 185.18 g/mol, XLogP of -0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-3-ethyl-2-oxo-4H-imidazole-4-carboxylate is sourced from PubChem (CID 79966897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).