[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl] acetate

C9H15NO2 — CID 70197099

IUPAC[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl] acetate
SMILESCC(=O)OC1C[C@H]2CC[C@@H](C1)N2
InChIInChI=1S/C9H15NO2/c1-6(11)12-9-4-7-2-3-8(5-9)10-7/h7-10H,2-5H2,1H3/t7-,8+,9?
InChIKeyTZSPCFWIYSJTGI-JVHMLUBASA-N
MW169.22 g/mol
LogP0.83
Rot. Bonds1

About [(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl] acetate

[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl] acetate (PubChem CID 70197099) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is [(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl] acetate.

Molecular Properties

Compound Name[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl] acetate
PubChem CID70197099
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl] acetate
SMILESCC(=O)OC1C[C@H]2CC[C@@H](C1)N2
InChIInChI=1S/C9H15NO2/c1-6(11)12-9-4-7-2-3-8(5-9)10-7/h7-10H,2-5H2,1H3/t7-,8+,9?
InChIKeyTZSPCFWIYSJTGI-JVHMLUBASA-N
XLogP0.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl] acetate?
The IUPAC name of [(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl] acetate (CID 70197099) is [(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl] acetate.
What is the SMILES notation for [(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl] acetate?
The canonical SMILES for [(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl] acetate is CC(=O)OC1C[C@H]2CC[C@@H](C1)N2.
What is the InChIKey of [(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl] acetate?
The InChIKey is TZSPCFWIYSJTGI-JVHMLUBASA-N. The full InChI is InChI=1S/C9H15NO2/c1-6(11)12-9-4-7-2-3-8(5-9)10-7/h7-10H,2-5H2,1H3/t7-,8+,9?.
What are the key properties of [(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl] acetate?
[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl] acetate has a molecular weight of 169.22 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl] acetate is sourced from PubChem (CID 70197099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).