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

C12H19N3O3 — CID 80715218

IUPACethyl 5-amino-2-ethyl-1-(oxolan-3-yl)imidazole-4-carboxylate
SMILESCCOC(=O)c1nc(CC)n(C2CCOC2)c1N
InChIInChI=1S/C12H19N3O3/c1-3-9-14-10(12(16)18-4-2)11(13)15(9)8-5-6-17-7-8/h8H,3-7,13H2,1-2H3
InChIKeyUQQAKYWHRBPEOD-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.17
Rot. Bonds4

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

ethyl 5-amino-2-ethyl-1-(oxolan-3-yl)imidazole-4-carboxylate (PubChem CID 80715218) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is ethyl 5-amino-2-ethyl-1-(oxolan-3-yl)imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-2-ethyl-1-(oxolan-3-yl)imidazole-4-carboxylate
PubChem CID80715218
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Nameethyl 5-amino-2-ethyl-1-(oxolan-3-yl)imidazole-4-carboxylate
SMILESCCOC(=O)c1nc(CC)n(C2CCOC2)c1N
InChIInChI=1S/C12H19N3O3/c1-3-9-14-10(12(16)18-4-2)11(13)15(9)8-5-6-17-7-8/h8H,3-7,13H2,1-2H3
InChIKeyUQQAKYWHRBPEOD-UHFFFAOYSA-N
XLogP1.17
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-ethyl-1-(oxolan-3-yl)imidazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-2-ethyl-1-(oxolan-3-yl)imidazole-4-carboxylate (CID 80715218) is ethyl 5-amino-2-ethyl-1-(oxolan-3-yl)imidazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-2-ethyl-1-(oxolan-3-yl)imidazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-2-ethyl-1-(oxolan-3-yl)imidazole-4-carboxylate is CCOC(=O)c1nc(CC)n(C2CCOC2)c1N.
What is the InChIKey of ethyl 5-amino-2-ethyl-1-(oxolan-3-yl)imidazole-4-carboxylate?
The InChIKey is UQQAKYWHRBPEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-3-9-14-10(12(16)18-4-2)11(13)15(9)8-5-6-17-7-8/h8H,3-7,13H2,1-2H3.
What are the key properties of ethyl 5-amino-2-ethyl-1-(oxolan-3-yl)imidazole-4-carboxylate?
ethyl 5-amino-2-ethyl-1-(oxolan-3-yl)imidazole-4-carboxylate has a molecular weight of 253.30 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-ethyl-1-(oxolan-3-yl)imidazole-4-carboxylate is sourced from PubChem (CID 80715218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).