1-O-tert-butyl 5-O-methyl imidazolidine-1,5-dicarboxylate

C10H18N2O4 — CID 67224193

IUPAC1-O-tert-butyl 5-O-methyl imidazolidine-1,5-dicarboxylate
SMILESCOC(=O)C1CNCN1C(=O)OC(C)(C)C
InChIInChI=1S/C10H18N2O4/c1-10(2,3)16-9(14)12-6-11-5-7(12)8(13)15-4/h7,11H,5-6H2,1-4H3
InChIKeyIQZQSDGLIQKQOU-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.33
Rot. Bonds1

About 1-O-tert-butyl 5-O-methyl imidazolidine-1,5-dicarboxylate

1-O-tert-butyl 5-O-methyl imidazolidine-1,5-dicarboxylate (PubChem CID 67224193) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 1-O-tert-butyl 5-O-methyl imidazolidine-1,5-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 5-O-methyl imidazolidine-1,5-dicarboxylate
PubChem CID67224193
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name1-O-tert-butyl 5-O-methyl imidazolidine-1,5-dicarboxylate
SMILESCOC(=O)C1CNCN1C(=O)OC(C)(C)C
InChIInChI=1S/C10H18N2O4/c1-10(2,3)16-9(14)12-6-11-5-7(12)8(13)15-4/h7,11H,5-6H2,1-4H3
InChIKeyIQZQSDGLIQKQOU-UHFFFAOYSA-N
XLogP0.33
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 5-O-methyl imidazolidine-1,5-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 5-O-methyl imidazolidine-1,5-dicarboxylate (CID 67224193) is 1-O-tert-butyl 5-O-methyl imidazolidine-1,5-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 5-O-methyl imidazolidine-1,5-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 5-O-methyl imidazolidine-1,5-dicarboxylate is COC(=O)C1CNCN1C(=O)OC(C)(C)C.
What is the InChIKey of 1-O-tert-butyl 5-O-methyl imidazolidine-1,5-dicarboxylate?
The InChIKey is IQZQSDGLIQKQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-10(2,3)16-9(14)12-6-11-5-7(12)8(13)15-4/h7,11H,5-6H2,1-4H3.
What are the key properties of 1-O-tert-butyl 5-O-methyl imidazolidine-1,5-dicarboxylate?
1-O-tert-butyl 5-O-methyl imidazolidine-1,5-dicarboxylate has a molecular weight of 230.26 g/mol, XLogP of 0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 5-O-methyl imidazolidine-1,5-dicarboxylate is sourced from PubChem (CID 67224193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).