3-O-tert-butyl 4-O-ethyl 1,2-dihydroimidazole-3,4-dicarboxylate

C11H18N2O4 — CID 141204244

IUPAC3-O-tert-butyl 4-O-ethyl 1,2-dihydroimidazole-3,4-dicarboxylate
SMILESCCOC(=O)C1=CNCN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H18N2O4/c1-5-16-9(14)8-6-12-7-13(8)10(15)17-11(2,3)4/h6,12H,5,7H2,1-4H3
InChIKeyRUZBDUJPELIQGT-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.19
Rot. Bonds2

About 3-O-tert-butyl 4-O-ethyl 1,2-dihydroimidazole-3,4-dicarboxylate

3-O-tert-butyl 4-O-ethyl 1,2-dihydroimidazole-3,4-dicarboxylate (PubChem CID 141204244) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 3-O-tert-butyl 4-O-ethyl 1,2-dihydroimidazole-3,4-dicarboxylate.

Molecular Properties

Compound Name3-O-tert-butyl 4-O-ethyl 1,2-dihydroimidazole-3,4-dicarboxylate
PubChem CID141204244
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name3-O-tert-butyl 4-O-ethyl 1,2-dihydroimidazole-3,4-dicarboxylate
SMILESCCOC(=O)C1=CNCN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H18N2O4/c1-5-16-9(14)8-6-12-7-13(8)10(15)17-11(2,3)4/h6,12H,5,7H2,1-4H3
InChIKeyRUZBDUJPELIQGT-UHFFFAOYSA-N
XLogP1.19
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-O-tert-butyl 4-O-ethyl 1,2-dihydroimidazole-3,4-dicarboxylate?
The IUPAC name of 3-O-tert-butyl 4-O-ethyl 1,2-dihydroimidazole-3,4-dicarboxylate (CID 141204244) is 3-O-tert-butyl 4-O-ethyl 1,2-dihydroimidazole-3,4-dicarboxylate.
What is the SMILES notation for 3-O-tert-butyl 4-O-ethyl 1,2-dihydroimidazole-3,4-dicarboxylate?
The canonical SMILES for 3-O-tert-butyl 4-O-ethyl 1,2-dihydroimidazole-3,4-dicarboxylate is CCOC(=O)C1=CNCN1C(=O)OC(C)(C)C.
What is the InChIKey of 3-O-tert-butyl 4-O-ethyl 1,2-dihydroimidazole-3,4-dicarboxylate?
The InChIKey is RUZBDUJPELIQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-5-16-9(14)8-6-12-7-13(8)10(15)17-11(2,3)4/h6,12H,5,7H2,1-4H3.
What are the key properties of 3-O-tert-butyl 4-O-ethyl 1,2-dihydroimidazole-3,4-dicarboxylate?
3-O-tert-butyl 4-O-ethyl 1,2-dihydroimidazole-3,4-dicarboxylate has a molecular weight of 242.27 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-O-tert-butyl 4-O-ethyl 1,2-dihydroimidazole-3,4-dicarboxylate is sourced from PubChem (CID 141204244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).