ethyl 3-ethyl-8-azabicyclo[3.2.1]octane-8-carboxylate

C12H21NO2 — CID 70658238

IUPACethyl 3-ethyl-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCCOC(=O)N1C2CCC1CC(CC)C2
InChIInChI=1S/C12H21NO2/c1-3-9-7-10-5-6-11(8-9)13(10)12(14)15-4-2/h9-11H,3-8H2,1-2H3
InChIKeyWAQUBWYHVDUNEP-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.80
Rot. Bonds2

About ethyl 3-ethyl-8-azabicyclo[3.2.1]octane-8-carboxylate

ethyl 3-ethyl-8-azabicyclo[3.2.1]octane-8-carboxylate (PubChem CID 70658238) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is ethyl 3-ethyl-8-azabicyclo[3.2.1]octane-8-carboxylate.

Molecular Properties

Compound Nameethyl 3-ethyl-8-azabicyclo[3.2.1]octane-8-carboxylate
PubChem CID70658238
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Nameethyl 3-ethyl-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCCOC(=O)N1C2CCC1CC(CC)C2
InChIInChI=1S/C12H21NO2/c1-3-9-7-10-5-6-11(8-9)13(10)12(14)15-4-2/h9-11H,3-8H2,1-2H3
InChIKeyWAQUBWYHVDUNEP-UHFFFAOYSA-N
XLogP2.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 3-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 73110477
ethyl 3-(2-ethoxy-2-oxoethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 19748295
ethyl 3-(2-hydroxyethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 19748293
8-ethoxycarbonyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 22958903
ethyl 3-[ethyl(methoxy)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 166890393
butyl (1S,5R)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 175819768
ethyl 2-ethynyl-7-azabicyclo[2.2.1]heptane-7-carboxylate
CID 87901165
ethyl 3-hydroxyimino-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 58346840
ethyl 3-[4-(1,2-dimethoxy-2-oxoethyl)piperidin-1-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 138546211
propyl 3-propan-2-yl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 59598948
2-[1-(8-ethoxycarbonyl-8-azabicyclo[3.2.1]octan-3-yl)piperidin-4-yl]-2-methoxyacetic acid
CID 138546212
ethyl (1S,4R)-7-azabicyclo[2.2.1]hept-2-ene-7-carboxylate
CID 11062780

Frequently Asked Questions

What is the IUPAC name of ethyl 3-ethyl-8-azabicyclo[3.2.1]octane-8-carboxylate?
The IUPAC name of ethyl 3-ethyl-8-azabicyclo[3.2.1]octane-8-carboxylate (CID 70658238) is ethyl 3-ethyl-8-azabicyclo[3.2.1]octane-8-carboxylate.
What is the SMILES notation for ethyl 3-ethyl-8-azabicyclo[3.2.1]octane-8-carboxylate?
The canonical SMILES for ethyl 3-ethyl-8-azabicyclo[3.2.1]octane-8-carboxylate is CCOC(=O)N1C2CCC1CC(CC)C2.
What is the InChIKey of ethyl 3-ethyl-8-azabicyclo[3.2.1]octane-8-carboxylate?
The InChIKey is WAQUBWYHVDUNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-3-9-7-10-5-6-11(8-9)13(10)12(14)15-4-2/h9-11H,3-8H2,1-2H3.
What are the key properties of ethyl 3-ethyl-8-azabicyclo[3.2.1]octane-8-carboxylate?
ethyl 3-ethyl-8-azabicyclo[3.2.1]octane-8-carboxylate has a molecular weight of 211.30 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-ethyl-8-azabicyclo[3.2.1]octane-8-carboxylate is sourced from PubChem (CID 70658238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).