3-ethoxy-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid

C11H19NO3 — CID 83226487

IUPAC3-ethoxy-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid
SMILESCCOC1(C(=O)O)CC2CCC(C1)N2C
InChIInChI=1S/C11H19NO3/c1-3-15-11(10(13)14)6-8-4-5-9(7-11)12(8)2/h8-9H,3-7H2,1-2H3,(H,13,14)
InChIKeyRTCUGERTQLZXGZ-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.10
Rot. Bonds3

About 3-ethoxy-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid

3-ethoxy-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid (PubChem CID 83226487) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-ethoxy-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid.

Molecular Properties

Compound Name3-ethoxy-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid
PubChem CID83226487
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name3-ethoxy-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid
SMILESCCOC1(C(=O)O)CC2CCC(C1)N2C
InChIInChI=1S/C11H19NO3/c1-3-15-11(10(13)14)6-8-4-5-9(7-11)12(8)2/h8-9H,3-7H2,1-2H3,(H,13,14)
InChIKeyRTCUGERTQLZXGZ-UHFFFAOYSA-N
XLogP1.10
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-ethoxy-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid 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 3-ethoxy-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid?
The IUPAC name of 3-ethoxy-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid (CID 83226487) is 3-ethoxy-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid.
What is the SMILES notation for 3-ethoxy-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid?
The canonical SMILES for 3-ethoxy-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid is CCOC1(C(=O)O)CC2CCC(C1)N2C.
What is the InChIKey of 3-ethoxy-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid?
The InChIKey is RTCUGERTQLZXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-3-15-11(10(13)14)6-8-4-5-9(7-11)12(8)2/h8-9H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 3-ethoxy-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid?
3-ethoxy-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid has a molecular weight of 213.28 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid is sourced from PubChem (CID 83226487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).