8-O-tert-butyl 3-O-ethyl 8-azabicyclo[3.2.1]octane-3,8-dicarboxylate

C15H25NO4 — CID 45489942

IUPAC8-O-tert-butyl 3-O-ethyl 8-azabicyclo[3.2.1]octane-3,8-dicarboxylate
SMILESCCOC(=O)C1CC2CCC(C1)N2C(=O)OC(C)(C)C
InChIInChI=1S/C15H25NO4/c1-5-19-13(17)10-8-11-6-7-12(9-10)16(11)14(18)20-15(2,3)4/h10-12H,5-9H2,1-4H3
InChIKeyWPOGOHLOBGPUEJ-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.73
Rot. Bonds2

About 8-O-tert-butyl 3-O-ethyl 8-azabicyclo[3.2.1]octane-3,8-dicarboxylate

8-O-tert-butyl 3-O-ethyl 8-azabicyclo[3.2.1]octane-3,8-dicarboxylate (PubChem CID 45489942) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 8-O-tert-butyl 3-O-ethyl 8-azabicyclo[3.2.1]octane-3,8-dicarboxylate.

Molecular Properties

Compound Name8-O-tert-butyl 3-O-ethyl 8-azabicyclo[3.2.1]octane-3,8-dicarboxylate
PubChem CID45489942
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name8-O-tert-butyl 3-O-ethyl 8-azabicyclo[3.2.1]octane-3,8-dicarboxylate
SMILESCCOC(=O)C1CC2CCC(C1)N2C(=O)OC(C)(C)C
InChIInChI=1S/C15H25NO4/c1-5-19-13(17)10-8-11-6-7-12(9-10)16(11)14(18)20-15(2,3)4/h10-12H,5-9H2,1-4H3
InChIKeyWPOGOHLOBGPUEJ-UHFFFAOYSA-N
XLogP2.73
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-O-tert-butyl 3-O-ethyl 8-azabicyclo[3.2.1]octane-3,8-dicarboxylate?
The IUPAC name of 8-O-tert-butyl 3-O-ethyl 8-azabicyclo[3.2.1]octane-3,8-dicarboxylate (CID 45489942) is 8-O-tert-butyl 3-O-ethyl 8-azabicyclo[3.2.1]octane-3,8-dicarboxylate.
What is the SMILES notation for 8-O-tert-butyl 3-O-ethyl 8-azabicyclo[3.2.1]octane-3,8-dicarboxylate?
The canonical SMILES for 8-O-tert-butyl 3-O-ethyl 8-azabicyclo[3.2.1]octane-3,8-dicarboxylate is CCOC(=O)C1CC2CCC(C1)N2C(=O)OC(C)(C)C.
What is the InChIKey of 8-O-tert-butyl 3-O-ethyl 8-azabicyclo[3.2.1]octane-3,8-dicarboxylate?
The InChIKey is WPOGOHLOBGPUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-5-19-13(17)10-8-11-6-7-12(9-10)16(11)14(18)20-15(2,3)4/h10-12H,5-9H2,1-4H3.
What are the key properties of 8-O-tert-butyl 3-O-ethyl 8-azabicyclo[3.2.1]octane-3,8-dicarboxylate?
8-O-tert-butyl 3-O-ethyl 8-azabicyclo[3.2.1]octane-3,8-dicarboxylate has a molecular weight of 283.37 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-O-tert-butyl 3-O-ethyl 8-azabicyclo[3.2.1]octane-3,8-dicarboxylate is sourced from PubChem (CID 45489942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).