oxolan-3-yl 3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate

C13H22N2O3 — CID 134510587

IUPACoxolan-3-yl 3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate
SMILESCC(C)N1CC2CC(C1)N2C(=O)OC1CCOC1
InChIInChI=1S/C13H22N2O3/c1-9(2)14-6-10-5-11(7-14)15(10)13(16)18-12-3-4-17-8-12/h9-12H,3-8H2,1-2H3
InChIKeyLSSGFWIHVLSXOO-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.08
Rot. Bonds2

About oxolan-3-yl 3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate

oxolan-3-yl 3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate (PubChem CID 134510587) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is oxolan-3-yl 3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate.

Molecular Properties

Compound Nameoxolan-3-yl 3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate
PubChem CID134510587
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Nameoxolan-3-yl 3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate
SMILESCC(C)N1CC2CC(C1)N2C(=O)OC1CCOC1
InChIInChI=1S/C13H22N2O3/c1-9(2)14-6-10-5-11(7-14)15(10)13(16)18-12-3-4-17-8-12/h9-12H,3-8H2,1-2H3
InChIKeyLSSGFWIHVLSXOO-UHFFFAOYSA-N
XLogP1.08
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl 3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate?
The IUPAC name of oxolan-3-yl 3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate (CID 134510587) is oxolan-3-yl 3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate.
What is the SMILES notation for oxolan-3-yl 3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate?
The canonical SMILES for oxolan-3-yl 3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate is CC(C)N1CC2CC(C1)N2C(=O)OC1CCOC1.
What is the InChIKey of oxolan-3-yl 3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate?
The InChIKey is LSSGFWIHVLSXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-9(2)14-6-10-5-11(7-14)15(10)13(16)18-12-3-4-17-8-12/h9-12H,3-8H2,1-2H3.
What are the key properties of oxolan-3-yl 3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate?
oxolan-3-yl 3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate has a molecular weight of 254.33 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl 3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate is sourced from PubChem (CID 134510587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).