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

C10H17NO2 — CID 10559369

IUPAC[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] acetate
SMILESCC(=O)OC1C[C@H]2CC[C@@H](C1)N2C
InChIInChI=1S/C10H17NO2/c1-7(12)13-10-5-8-3-4-9(6-10)11(8)2/h8-10H,3-6H2,1-2H3/t8-,9+,10?
InChIKeyMDIDMOWWLBGYPG-ULKQDVFKSA-N
MW183.25 g/mol
LogP1.17
Rot. Bonds1

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

[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] acetate (PubChem CID 10559369) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] acetate.

Molecular Properties

Compound Name[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] acetate
PubChem CID10559369
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] acetate
SMILESCC(=O)OC1C[C@H]2CC[C@@H](C1)N2C
InChIInChI=1S/C10H17NO2/c1-7(12)13-10-5-8-3-4-9(6-10)11(8)2/h8-10H,3-6H2,1-2H3/t8-,9+,10?
InChIKeyMDIDMOWWLBGYPG-ULKQDVFKSA-N
XLogP1.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] acetate?
The IUPAC name of [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] acetate (CID 10559369) is [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] acetate.
What is the SMILES notation for [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] acetate?
The canonical SMILES for [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] acetate is CC(=O)OC1C[C@H]2CC[C@@H](C1)N2C.
What is the InChIKey of [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] acetate?
The InChIKey is MDIDMOWWLBGYPG-ULKQDVFKSA-N. The full InChI is InChI=1S/C10H17NO2/c1-7(12)13-10-5-8-3-4-9(6-10)11(8)2/h8-10H,3-6H2,1-2H3/t8-,9+,10?.
What are the key properties of [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] acetate?
[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] acetate has a molecular weight of 183.25 g/mol, XLogP of 1.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] acetate is sourced from PubChem (CID 10559369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).