2-ethyl-1-azabicyclo[2.2.2]octane-4-carboxylic acid

C10H17NO2 — CID 90040199

IUPAC2-ethyl-1-azabicyclo[2.2.2]octane-4-carboxylic acid
SMILESCCC1CC2(C(=O)O)CCN1CC2
InChIInChI=1S/C10H17NO2/c1-2-8-7-10(9(12)13)3-5-11(8)6-4-10/h8H,2-7H2,1H3,(H,12,13)
InChIKeyCIDQAJXLPYSCDI-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.34
Rot. Bonds2

About 2-ethyl-1-azabicyclo[2.2.2]octane-4-carboxylic acid

2-ethyl-1-azabicyclo[2.2.2]octane-4-carboxylic acid (PubChem CID 90040199) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-ethyl-1-azabicyclo[2.2.2]octane-4-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1-azabicyclo[2.2.2]octane-4-carboxylic acid
PubChem CID90040199
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-ethyl-1-azabicyclo[2.2.2]octane-4-carboxylic acid
SMILESCCC1CC2(C(=O)O)CCN1CC2
InChIInChI=1S/C10H17NO2/c1-2-8-7-10(9(12)13)3-5-11(8)6-4-10/h8H,2-7H2,1H3,(H,12,13)
InChIKeyCIDQAJXLPYSCDI-UHFFFAOYSA-N
XLogP1.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-azabicyclo[2.2.2]octane-4-carboxylic acid?
The IUPAC name of 2-ethyl-1-azabicyclo[2.2.2]octane-4-carboxylic acid (CID 90040199) is 2-ethyl-1-azabicyclo[2.2.2]octane-4-carboxylic acid.
What is the SMILES notation for 2-ethyl-1-azabicyclo[2.2.2]octane-4-carboxylic acid?
The canonical SMILES for 2-ethyl-1-azabicyclo[2.2.2]octane-4-carboxylic acid is CCC1CC2(C(=O)O)CCN1CC2.
What is the InChIKey of 2-ethyl-1-azabicyclo[2.2.2]octane-4-carboxylic acid?
The InChIKey is CIDQAJXLPYSCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-2-8-7-10(9(12)13)3-5-11(8)6-4-10/h8H,2-7H2,1H3,(H,12,13).
What are the key properties of 2-ethyl-1-azabicyclo[2.2.2]octane-4-carboxylic acid?
2-ethyl-1-azabicyclo[2.2.2]octane-4-carboxylic acid has a molecular weight of 183.25 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-azabicyclo[2.2.2]octane-4-carboxylic acid is sourced from PubChem (CID 90040199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).