ethyl 5-acetamido-2,3-dimethylimidazole-4-carboxylate

C10H15N3O3 — CID 12955183

IUPACethyl 5-acetamido-2,3-dimethylimidazole-4-carboxylate
SMILESCCOC(=O)c1c(NC(C)=O)nc(C)n1C
InChIInChI=1S/C10H15N3O3/c1-5-16-10(15)8-9(12-7(3)14)11-6(2)13(8)4/h5H2,1-4H3,(H,12,14)
InChIKeyQORHSHPUFOXEMD-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.86
Rot. Bonds3

About ethyl 5-acetamido-2,3-dimethylimidazole-4-carboxylate

ethyl 5-acetamido-2,3-dimethylimidazole-4-carboxylate (PubChem CID 12955183) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is ethyl 5-acetamido-2,3-dimethylimidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-acetamido-2,3-dimethylimidazole-4-carboxylate
PubChem CID12955183
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Nameethyl 5-acetamido-2,3-dimethylimidazole-4-carboxylate
SMILESCCOC(=O)c1c(NC(C)=O)nc(C)n1C
InChIInChI=1S/C10H15N3O3/c1-5-16-10(15)8-9(12-7(3)14)11-6(2)13(8)4/h5H2,1-4H3,(H,12,14)
InChIKeyQORHSHPUFOXEMD-UHFFFAOYSA-N
XLogP0.86
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-acetamido-2,3-dimethylimidazole-4-carboxylate?
The IUPAC name of ethyl 5-acetamido-2,3-dimethylimidazole-4-carboxylate (CID 12955183) is ethyl 5-acetamido-2,3-dimethylimidazole-4-carboxylate.
What is the SMILES notation for ethyl 5-acetamido-2,3-dimethylimidazole-4-carboxylate?
The canonical SMILES for ethyl 5-acetamido-2,3-dimethylimidazole-4-carboxylate is CCOC(=O)c1c(NC(C)=O)nc(C)n1C.
What is the InChIKey of ethyl 5-acetamido-2,3-dimethylimidazole-4-carboxylate?
The InChIKey is QORHSHPUFOXEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-5-16-10(15)8-9(12-7(3)14)11-6(2)13(8)4/h5H2,1-4H3,(H,12,14).
What are the key properties of ethyl 5-acetamido-2,3-dimethylimidazole-4-carboxylate?
ethyl 5-acetamido-2,3-dimethylimidazole-4-carboxylate has a molecular weight of 225.25 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-acetamido-2,3-dimethylimidazole-4-carboxylate is sourced from PubChem (CID 12955183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).