[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-methylpropanoate

C12H21NO2 — CID 3083598

IUPAC[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-methylpropanoate
SMILESCC(C)C(=O)OC1C[C@H]2CC[C@@H](C1)N2C
InChIInChI=1S/C12H21NO2/c1-8(2)12(14)15-11-6-9-4-5-10(7-11)13(9)3/h8-11H,4-7H2,1-3H3/t9-,10+,11?
InChIKeyUAINLAXRDPKCOO-ZACCUICWSA-N
MW211.31 g/mol
LogP1.81
Rot. Bonds2

About [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-methylpropanoate

[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-methylpropanoate (PubChem CID 3083598) has the molecular formula C12H21NO2 and a molecular weight of 211.31 g/mol. Its IUPAC name is [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-methylpropanoate.

Molecular Properties

Compound Name[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-methylpropanoate
PubChem CID3083598
Molecular FormulaC12H21NO2
Molecular Weight211.31 g/mol
Exact Mass211.16
IUPAC Name[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-methylpropanoate
SMILESCC(C)C(=O)OC1C[C@H]2CC[C@@H](C1)N2C
InChIInChI=1S/C12H21NO2/c1-8(2)12(14)15-11-6-9-4-5-10(7-11)13(9)3/h8-11H,4-7H2,1-3H3/t9-,10+,11?
InChIKeyUAINLAXRDPKCOO-ZACCUICWSA-N
XLogP1.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-methylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-methylpropanoate?
The IUPAC name of [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-methylpropanoate (CID 3083598) is [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-methylpropanoate.
What is the SMILES notation for [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-methylpropanoate?
The canonical SMILES for [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-methylpropanoate is CC(C)C(=O)OC1C[C@H]2CC[C@@H](C1)N2C.
What is the InChIKey of [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-methylpropanoate?
The InChIKey is UAINLAXRDPKCOO-ZACCUICWSA-N. The full InChI is InChI=1S/C12H21NO2/c1-8(2)12(14)15-11-6-9-4-5-10(7-11)13(9)3/h8-11H,4-7H2,1-3H3/t9-,10+,11?.
What are the key properties of [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-methylpropanoate?
[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-methylpropanoate has a molecular weight of 211.31 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-methylpropanoate is sourced from PubChem (CID 3083598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).