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

C11H21NO2 — CID 121401098

IUPAC3-[(2S)-3-methoxy-2-methylpropyl]-8-oxa-3-azabicyclo[3.2.1]octane
SMILESCOC[C@@H](C)CN1CC2CCC(C1)O2
InChIInChI=1S/C11H21NO2/c1-9(8-13-2)5-12-6-10-3-4-11(7-12)14-10/h9-11H,3-8H2,1-2H3/t9-,10?,11?/m0/s1
InChIKeyCAAIDABJDLRFLG-WHXUTIOJSA-N
MW199.29 g/mol
LogP1.13
Rot. Bonds4

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

3-[(2S)-3-methoxy-2-methylpropyl]-8-oxa-3-azabicyclo[3.2.1]octane (PubChem CID 121401098) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 3-[(2S)-3-methoxy-2-methylpropyl]-8-oxa-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-[(2S)-3-methoxy-2-methylpropyl]-8-oxa-3-azabicyclo[3.2.1]octane
PubChem CID121401098
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name3-[(2S)-3-methoxy-2-methylpropyl]-8-oxa-3-azabicyclo[3.2.1]octane
SMILESCOC[C@@H](C)CN1CC2CCC(C1)O2
InChIInChI=1S/C11H21NO2/c1-9(8-13-2)5-12-6-10-3-4-11(7-12)14-10/h9-11H,3-8H2,1-2H3/t9-,10?,11?/m0/s1
InChIKeyCAAIDABJDLRFLG-WHXUTIOJSA-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 3-[(2S)-3-methoxy-2-methylpropyl]-8-oxa-3-azabicyclo[3.2.1]octane?
The IUPAC name of 3-[(2S)-3-methoxy-2-methylpropyl]-8-oxa-3-azabicyclo[3.2.1]octane (CID 121401098) is 3-[(2S)-3-methoxy-2-methylpropyl]-8-oxa-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-[(2S)-3-methoxy-2-methylpropyl]-8-oxa-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-[(2S)-3-methoxy-2-methylpropyl]-8-oxa-3-azabicyclo[3.2.1]octane is COC[C@@H](C)CN1CC2CCC(C1)O2.
What is the InChIKey of 3-[(2S)-3-methoxy-2-methylpropyl]-8-oxa-3-azabicyclo[3.2.1]octane?
The InChIKey is CAAIDABJDLRFLG-WHXUTIOJSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9(8-13-2)5-12-6-10-3-4-11(7-12)14-10/h9-11H,3-8H2,1-2H3/t9-,10?,11?/m0/s1.
What are the key properties of 3-[(2S)-3-methoxy-2-methylpropyl]-8-oxa-3-azabicyclo[3.2.1]octane?
3-[(2S)-3-methoxy-2-methylpropyl]-8-oxa-3-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 3-[(2S)-3-methoxy-2-methylpropyl]-8-oxa-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 121401098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).