3-(2-hydroxyethoxy)-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid

C11H19NO4 — CID 83225792

IUPAC3-(2-hydroxyethoxy)-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid
SMILESCN1C2CCC1CC(OCCO)(C(=O)O)C2
InChIInChI=1S/C11H19NO4/c1-12-8-2-3-9(12)7-11(6-8,10(14)15)16-5-4-13/h8-9,13H,2-7H2,1H3,(H,14,15)
InChIKeySJSLDUYXGNMRSV-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.08
Rot. Bonds4

About 3-(2-hydroxyethoxy)-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid

3-(2-hydroxyethoxy)-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid (PubChem CID 83225792) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-(2-hydroxyethoxy)-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid.

Molecular Properties

Compound Name3-(2-hydroxyethoxy)-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid
PubChem CID83225792
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name3-(2-hydroxyethoxy)-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid
SMILESCN1C2CCC1CC(OCCO)(C(=O)O)C2
InChIInChI=1S/C11H19NO4/c1-12-8-2-3-9(12)7-11(6-8,10(14)15)16-5-4-13/h8-9,13H,2-7H2,1H3,(H,14,15)
InChIKeySJSLDUYXGNMRSV-UHFFFAOYSA-N
XLogP0.08
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethoxy)-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid?
The IUPAC name of 3-(2-hydroxyethoxy)-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid (CID 83225792) is 3-(2-hydroxyethoxy)-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid.
What is the SMILES notation for 3-(2-hydroxyethoxy)-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid?
The canonical SMILES for 3-(2-hydroxyethoxy)-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid is CN1C2CCC1CC(OCCO)(C(=O)O)C2.
What is the InChIKey of 3-(2-hydroxyethoxy)-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid?
The InChIKey is SJSLDUYXGNMRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-12-8-2-3-9(12)7-11(6-8,10(14)15)16-5-4-13/h8-9,13H,2-7H2,1H3,(H,14,15).
What are the key properties of 3-(2-hydroxyethoxy)-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid?
3-(2-hydroxyethoxy)-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid has a molecular weight of 229.28 g/mol, XLogP of 0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethoxy)-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid is sourced from PubChem (CID 83225792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).