2-methylpropyl 3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate

C17H24N2O3 — CID 121195558

IUPAC2-methylpropyl 3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCC(C)COC(=O)N1C2CCC1CC(Oc1ccccn1)C2
InChIInChI=1S/C17H24N2O3/c1-12(2)11-21-17(20)19-13-6-7-14(19)10-15(9-13)22-16-5-3-4-8-18-16/h3-5,8,12-15H,6-7,9-11H2,1-2H3
InChIKeyFJTFCYVUXYEMPO-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.25
Rot. Bonds4

About 2-methylpropyl 3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate

2-methylpropyl 3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate (PubChem CID 121195558) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-methylpropyl 3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate
PubChem CID121195558
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name2-methylpropyl 3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCC(C)COC(=O)N1C2CCC1CC(Oc1ccccn1)C2
InChIInChI=1S/C17H24N2O3/c1-12(2)11-21-17(20)19-13-6-7-14(19)10-15(9-13)22-16-5-3-4-8-18-16/h3-5,8,12-15H,6-7,9-11H2,1-2H3
InChIKeyFJTFCYVUXYEMPO-UHFFFAOYSA-N
XLogP3.25
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate?
The IUPAC name of 2-methylpropyl 3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate (CID 121195558) is 2-methylpropyl 3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate.
What is the SMILES notation for 2-methylpropyl 3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate?
The canonical SMILES for 2-methylpropyl 3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate is CC(C)COC(=O)N1C2CCC1CC(Oc1ccccn1)C2.
What is the InChIKey of 2-methylpropyl 3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate?
The InChIKey is FJTFCYVUXYEMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-12(2)11-21-17(20)19-13-6-7-14(19)10-15(9-13)22-16-5-3-4-8-18-16/h3-5,8,12-15H,6-7,9-11H2,1-2H3.
What are the key properties of 2-methylpropyl 3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate?
2-methylpropyl 3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate has a molecular weight of 304.39 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate is sourced from PubChem (CID 121195558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).