oxolan-3-ylmethyl 3-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate

C14H23NO3 — CID 70823810

IUPACoxolan-3-ylmethyl 3-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCC1CC2CCC(C1)N2C(=O)OCC1CCOC1
InChIInChI=1S/C14H23NO3/c1-10-6-12-2-3-13(7-10)15(12)14(16)18-9-11-4-5-17-8-11/h10-13H,2-9H2,1H3
InChIKeyXTHLKVQRVFGNGO-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.42
Rot. Bonds2

About oxolan-3-ylmethyl 3-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate

oxolan-3-ylmethyl 3-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate (PubChem CID 70823810) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is oxolan-3-ylmethyl 3-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate.

Molecular Properties

Compound Nameoxolan-3-ylmethyl 3-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate
PubChem CID70823810
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Nameoxolan-3-ylmethyl 3-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCC1CC2CCC(C1)N2C(=O)OCC1CCOC1
InChIInChI=1S/C14H23NO3/c1-10-6-12-2-3-13(7-10)15(12)14(16)18-9-11-4-5-17-8-11/h10-13H,2-9H2,1H3
InChIKeyXTHLKVQRVFGNGO-UHFFFAOYSA-N
XLogP2.42
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of oxolan-3-ylmethyl 3-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate?
The IUPAC name of oxolan-3-ylmethyl 3-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate (CID 70823810) is oxolan-3-ylmethyl 3-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate.
What is the SMILES notation for oxolan-3-ylmethyl 3-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate?
The canonical SMILES for oxolan-3-ylmethyl 3-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate is CC1CC2CCC(C1)N2C(=O)OCC1CCOC1.
What is the InChIKey of oxolan-3-ylmethyl 3-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate?
The InChIKey is XTHLKVQRVFGNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-10-6-12-2-3-13(7-10)15(12)14(16)18-9-11-4-5-17-8-11/h10-13H,2-9H2,1H3.
What are the key properties of oxolan-3-ylmethyl 3-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate?
oxolan-3-ylmethyl 3-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate has a molecular weight of 253.34 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-ylmethyl 3-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate is sourced from PubChem (CID 70823810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).