propan-2-yl 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetate

C11H19NO3 — CID 66391346

IUPACpropan-2-yl 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetate
SMILESCC(C)OC(=O)CN1CC2CCC(C1)O2
InChIInChI=1S/C11H19NO3/c1-8(2)14-11(13)7-12-5-9-3-4-10(6-12)15-9/h8-10H,3-7H2,1-2H3
InChIKeyXOEHZKGCIIQYCS-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.80
Rot. Bonds3

About propan-2-yl 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetate

propan-2-yl 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetate (PubChem CID 66391346) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is propan-2-yl 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetate
PubChem CID66391346
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namepropan-2-yl 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetate
SMILESCC(C)OC(=O)CN1CC2CCC(C1)O2
InChIInChI=1S/C11H19NO3/c1-8(2)14-11(13)7-12-5-9-3-4-10(6-12)15-9/h8-10H,3-7H2,1-2H3
InChIKeyXOEHZKGCIIQYCS-UHFFFAOYSA-N
XLogP0.80
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze propan-2-yl 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetate?
The IUPAC name of propan-2-yl 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetate (CID 66391346) is propan-2-yl 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetate.
What is the SMILES notation for propan-2-yl 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetate?
The canonical SMILES for propan-2-yl 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetate is CC(C)OC(=O)CN1CC2CCC(C1)O2.
What is the InChIKey of propan-2-yl 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetate?
The InChIKey is XOEHZKGCIIQYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8(2)14-11(13)7-12-5-9-3-4-10(6-12)15-9/h8-10H,3-7H2,1-2H3.
What are the key properties of propan-2-yl 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetate?
propan-2-yl 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetate has a molecular weight of 213.28 g/mol, XLogP of 0.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetate is sourced from PubChem (CID 66391346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).