8-[(2R)-3-methoxy-2-methylpropyl]-3-oxa-8-azabicyclo[3.2.1]octane

C11H21NO2 — CID 170083312

IUPAC8-[(2R)-3-methoxy-2-methylpropyl]-3-oxa-8-azabicyclo[3.2.1]octane
SMILESCOC[C@H](C)CN1C2CCC1COC2
InChIInChI=1S/C11H21NO2/c1-9(6-13-2)5-12-10-3-4-11(12)8-14-7-10/h9-11H,3-8H2,1-2H3/t9-,10?,11?/m1/s1
InChIKeyAUDXJHGXFANZJN-KPPDAEKUSA-N
MW199.29 g/mol
LogP1.13
Rot. Bonds4

About 8-[(2R)-3-methoxy-2-methylpropyl]-3-oxa-8-azabicyclo[3.2.1]octane

8-[(2R)-3-methoxy-2-methylpropyl]-3-oxa-8-azabicyclo[3.2.1]octane (PubChem CID 170083312) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 8-[(2R)-3-methoxy-2-methylpropyl]-3-oxa-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-[(2R)-3-methoxy-2-methylpropyl]-3-oxa-8-azabicyclo[3.2.1]octane
PubChem CID170083312
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name8-[(2R)-3-methoxy-2-methylpropyl]-3-oxa-8-azabicyclo[3.2.1]octane
SMILESCOC[C@H](C)CN1C2CCC1COC2
InChIInChI=1S/C11H21NO2/c1-9(6-13-2)5-12-10-3-4-11(12)8-14-7-10/h9-11H,3-8H2,1-2H3/t9-,10?,11?/m1/s1
InChIKeyAUDXJHGXFANZJN-KPPDAEKUSA-N
XLogP1.13
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[(2R)-3-methoxy-2-methylpropyl]-3-oxa-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-[(2R)-3-methoxy-2-methylpropyl]-3-oxa-8-azabicyclo[3.2.1]octane (CID 170083312) is 8-[(2R)-3-methoxy-2-methylpropyl]-3-oxa-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-[(2R)-3-methoxy-2-methylpropyl]-3-oxa-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-[(2R)-3-methoxy-2-methylpropyl]-3-oxa-8-azabicyclo[3.2.1]octane is COC[C@H](C)CN1C2CCC1COC2.
What is the InChIKey of 8-[(2R)-3-methoxy-2-methylpropyl]-3-oxa-8-azabicyclo[3.2.1]octane?
The InChIKey is AUDXJHGXFANZJN-KPPDAEKUSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9(6-13-2)5-12-10-3-4-11(12)8-14-7-10/h9-11H,3-8H2,1-2H3/t9-,10?,11?/m1/s1.
What are the key properties of 8-[(2R)-3-methoxy-2-methylpropyl]-3-oxa-8-azabicyclo[3.2.1]octane?
8-[(2R)-3-methoxy-2-methylpropyl]-3-oxa-8-azabicyclo[3.2.1]octane has a molecular weight of 199.29 g/mol, XLogP of 1.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2R)-3-methoxy-2-methylpropyl]-3-oxa-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 170083312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).