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

C11H19NO2 — CID 91751182

IUPAC[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] propanoate
SMILESCCC(=O)OC1C[C@H]2CC[C@@H](C1)N2C
InChIInChI=1S/C11H19NO2/c1-3-11(13)14-10-6-8-4-5-9(7-10)12(8)2/h8-10H,3-7H2,1-2H3/t8-,9+,10?
InChIKeyNUFSBXOAMBFLRJ-ULKQDVFKSA-N
MW197.28 g/mol
LogP1.56
Rot. Bonds2

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

[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] propanoate (PubChem CID 91751182) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] propanoate.

Molecular Properties

Compound Name[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] propanoate
PubChem CID91751182
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] propanoate
SMILESCCC(=O)OC1C[C@H]2CC[C@@H](C1)N2C
InChIInChI=1S/C11H19NO2/c1-3-11(13)14-10-6-8-4-5-9(7-10)12(8)2/h8-10H,3-7H2,1-2H3/t8-,9+,10?
InChIKeyNUFSBXOAMBFLRJ-ULKQDVFKSA-N
XLogP1.56
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] propanoate?
The IUPAC name of [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] propanoate (CID 91751182) is [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] propanoate.
What is the SMILES notation for [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] propanoate?
The canonical SMILES for [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] propanoate is CCC(=O)OC1C[C@H]2CC[C@@H](C1)N2C.
What is the InChIKey of [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] propanoate?
The InChIKey is NUFSBXOAMBFLRJ-ULKQDVFKSA-N. The full InChI is InChI=1S/C11H19NO2/c1-3-11(13)14-10-6-8-4-5-9(7-10)12(8)2/h8-10H,3-7H2,1-2H3/t8-,9+,10?.
What are the key properties of [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] propanoate?
[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] propanoate has a molecular weight of 197.28 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] propanoate is sourced from PubChem (CID 91751182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).