ethyl 5-amino-2-ethyl-1-(2-oxopiperidin-3-yl)imidazole-4-carboxylate

C13H20N4O3 — CID 62093443

IUPACethyl 5-amino-2-ethyl-1-(2-oxopiperidin-3-yl)imidazole-4-carboxylate
SMILESCCOC(=O)c1nc(CC)n(C2CCCNC2=O)c1N
InChIInChI=1S/C13H20N4O3/c1-3-9-16-10(13(19)20-4-2)11(14)17(9)8-6-5-7-15-12(8)18/h8H,3-7,14H2,1-2H3,(H,15,18)
InChIKeyGWVJGQBLHBXVIN-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.66
Rot. Bonds4

About ethyl 5-amino-2-ethyl-1-(2-oxopiperidin-3-yl)imidazole-4-carboxylate

ethyl 5-amino-2-ethyl-1-(2-oxopiperidin-3-yl)imidazole-4-carboxylate (PubChem CID 62093443) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is ethyl 5-amino-2-ethyl-1-(2-oxopiperidin-3-yl)imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-2-ethyl-1-(2-oxopiperidin-3-yl)imidazole-4-carboxylate
PubChem CID62093443
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Nameethyl 5-amino-2-ethyl-1-(2-oxopiperidin-3-yl)imidazole-4-carboxylate
SMILESCCOC(=O)c1nc(CC)n(C2CCCNC2=O)c1N
InChIInChI=1S/C13H20N4O3/c1-3-9-16-10(13(19)20-4-2)11(14)17(9)8-6-5-7-15-12(8)18/h8H,3-7,14H2,1-2H3,(H,15,18)
InChIKeyGWVJGQBLHBXVIN-UHFFFAOYSA-N
XLogP0.66
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-ethyl-1-(2-oxopiperidin-3-yl)imidazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-2-ethyl-1-(2-oxopiperidin-3-yl)imidazole-4-carboxylate (CID 62093443) is ethyl 5-amino-2-ethyl-1-(2-oxopiperidin-3-yl)imidazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-2-ethyl-1-(2-oxopiperidin-3-yl)imidazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-2-ethyl-1-(2-oxopiperidin-3-yl)imidazole-4-carboxylate is CCOC(=O)c1nc(CC)n(C2CCCNC2=O)c1N.
What is the InChIKey of ethyl 5-amino-2-ethyl-1-(2-oxopiperidin-3-yl)imidazole-4-carboxylate?
The InChIKey is GWVJGQBLHBXVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-3-9-16-10(13(19)20-4-2)11(14)17(9)8-6-5-7-15-12(8)18/h8H,3-7,14H2,1-2H3,(H,15,18).
What are the key properties of ethyl 5-amino-2-ethyl-1-(2-oxopiperidin-3-yl)imidazole-4-carboxylate?
ethyl 5-amino-2-ethyl-1-(2-oxopiperidin-3-yl)imidazole-4-carboxylate has a molecular weight of 280.33 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-ethyl-1-(2-oxopiperidin-3-yl)imidazole-4-carboxylate is sourced from PubChem (CID 62093443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).