(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) butanoate

C12H21NO2 — CID 101415904

IUPAC(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) butanoate
SMILESCCCC(=O)OC1CC2CCC(C1)N2C
InChIInChI=1S/C12H21NO2/c1-3-4-12(14)15-11-7-9-5-6-10(8-11)13(9)2/h9-11H,3-8H2,1-2H3
InChIKeyNGOWJAIPSPMOOJ-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.95
Rot. Bonds3

About (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) butanoate

(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) butanoate (PubChem CID 101415904) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) butanoate.

Molecular Properties

Compound Name(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) butanoate
PubChem CID101415904
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) butanoate
SMILESCCCC(=O)OC1CC2CCC(C1)N2C
InChIInChI=1S/C12H21NO2/c1-3-4-12(14)15-11-7-9-5-6-10(8-11)13(9)2/h9-11H,3-8H2,1-2H3
InChIKeyNGOWJAIPSPMOOJ-UHFFFAOYSA-N
XLogP1.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) butanoate?
The IUPAC name of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) butanoate (CID 101415904) is (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) butanoate.
What is the SMILES notation for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) butanoate?
The canonical SMILES for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) butanoate is CCCC(=O)OC1CC2CCC(C1)N2C.
What is the InChIKey of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) butanoate?
The InChIKey is NGOWJAIPSPMOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-3-4-12(14)15-11-7-9-5-6-10(8-11)13(9)2/h9-11H,3-8H2,1-2H3.
What are the key properties of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) butanoate?
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) butanoate has a molecular weight of 211.30 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) butanoate is sourced from PubChem (CID 101415904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).