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

C12H21NO3 — CID 83225554

IUPAC8-methyl-3-propoxy-8-azabicyclo[3.2.1]octane-3-carboxylic acid
SMILESCCCOC1(C(=O)O)CC2CCC(C1)N2C
InChIInChI=1S/C12H21NO3/c1-3-6-16-12(11(14)15)7-9-4-5-10(8-12)13(9)2/h9-10H,3-8H2,1-2H3,(H,14,15)
InChIKeySOWPDQOYFMSZJM-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.49
Rot. Bonds4

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

8-methyl-3-propoxy-8-azabicyclo[3.2.1]octane-3-carboxylic acid (PubChem CID 83225554) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 8-methyl-3-propoxy-8-azabicyclo[3.2.1]octane-3-carboxylic acid.

Molecular Properties

Compound Name8-methyl-3-propoxy-8-azabicyclo[3.2.1]octane-3-carboxylic acid
PubChem CID83225554
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name8-methyl-3-propoxy-8-azabicyclo[3.2.1]octane-3-carboxylic acid
SMILESCCCOC1(C(=O)O)CC2CCC(C1)N2C
InChIInChI=1S/C12H21NO3/c1-3-6-16-12(11(14)15)7-9-4-5-10(8-12)13(9)2/h9-10H,3-8H2,1-2H3,(H,14,15)
InChIKeySOWPDQOYFMSZJM-UHFFFAOYSA-N
XLogP1.49
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-methyl-3-propoxy-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 8-methyl-3-propoxy-8-azabicyclo[3.2.1]octane-3-carboxylic acid?
The IUPAC name of 8-methyl-3-propoxy-8-azabicyclo[3.2.1]octane-3-carboxylic acid (CID 83225554) is 8-methyl-3-propoxy-8-azabicyclo[3.2.1]octane-3-carboxylic acid.
What is the SMILES notation for 8-methyl-3-propoxy-8-azabicyclo[3.2.1]octane-3-carboxylic acid?
The canonical SMILES for 8-methyl-3-propoxy-8-azabicyclo[3.2.1]octane-3-carboxylic acid is CCCOC1(C(=O)O)CC2CCC(C1)N2C.
What is the InChIKey of 8-methyl-3-propoxy-8-azabicyclo[3.2.1]octane-3-carboxylic acid?
The InChIKey is SOWPDQOYFMSZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-3-6-16-12(11(14)15)7-9-4-5-10(8-12)13(9)2/h9-10H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 8-methyl-3-propoxy-8-azabicyclo[3.2.1]octane-3-carboxylic acid?
8-methyl-3-propoxy-8-azabicyclo[3.2.1]octane-3-carboxylic acid has a molecular weight of 227.30 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-propoxy-8-azabicyclo[3.2.1]octane-3-carboxylic acid is sourced from PubChem (CID 83225554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).