(3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-6-yl) acetate

C10H17NO3 — CID 14413733

IUPAC(3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-6-yl) acetate
SMILESCC(=O)OC1CC2CC(O)CC1N2C
InChIInChI=1S/C10H17NO3/c1-6(12)14-10-4-7-3-8(13)5-9(10)11(7)2/h7-10,13H,3-5H2,1-2H3
InChIKeyAEVQETQLKSVJET-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.15
Rot. Bonds1

About (3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-6-yl) acetate

(3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-6-yl) acetate (PubChem CID 14413733) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is (3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-6-yl) acetate.

Molecular Properties

Compound Name(3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-6-yl) acetate
PubChem CID14413733
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name(3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-6-yl) acetate
SMILESCC(=O)OC1CC2CC(O)CC1N2C
InChIInChI=1S/C10H17NO3/c1-6(12)14-10-4-7-3-8(13)5-9(10)11(7)2/h7-10,13H,3-5H2,1-2H3
InChIKeyAEVQETQLKSVJET-UHFFFAOYSA-N
XLogP0.15
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-6-yl) acetate?
The IUPAC name of (3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-6-yl) acetate (CID 14413733) is (3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-6-yl) acetate.
What is the SMILES notation for (3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-6-yl) acetate?
The canonical SMILES for (3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-6-yl) acetate is CC(=O)OC1CC2CC(O)CC1N2C.
What is the InChIKey of (3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-6-yl) acetate?
The InChIKey is AEVQETQLKSVJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-6(12)14-10-4-7-3-8(13)5-9(10)11(7)2/h7-10,13H,3-5H2,1-2H3.
What are the key properties of (3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-6-yl) acetate?
(3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-6-yl) acetate has a molecular weight of 199.25 g/mol, XLogP of 0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-6-yl) acetate is sourced from PubChem (CID 14413733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).