8-ethoxycarbonyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid

C11H17NO4 — CID 22958903

IUPAC8-ethoxycarbonyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid
SMILESCCOC(=O)N1C2CCC1CC(C(=O)O)C2
InChIInChI=1S/C11H17NO4/c1-2-16-11(15)12-8-3-4-9(12)6-7(5-8)10(13)14/h7-9H,2-6H2,1H3,(H,13,14)
InChIKeyQLOCSFCPNXJOIQ-UHFFFAOYSA-N
MW227.26 g/mol
LogP1.47
Rot. Bonds2

About 8-ethoxycarbonyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid

8-ethoxycarbonyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid (PubChem CID 22958903) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 8-ethoxycarbonyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid.

Molecular Properties

Compound Name8-ethoxycarbonyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid
PubChem CID22958903
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name8-ethoxycarbonyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid
SMILESCCOC(=O)N1C2CCC1CC(C(=O)O)C2
InChIInChI=1S/C11H17NO4/c1-2-16-11(15)12-8-3-4-9(12)6-7(5-8)10(13)14/h7-9H,2-6H2,1H3,(H,13,14)
InChIKeyQLOCSFCPNXJOIQ-UHFFFAOYSA-N
XLogP1.47
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-ethoxycarbonyl-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-ethoxycarbonyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid?
The IUPAC name of 8-ethoxycarbonyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid (CID 22958903) is 8-ethoxycarbonyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid.
What is the SMILES notation for 8-ethoxycarbonyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid?
The canonical SMILES for 8-ethoxycarbonyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid is CCOC(=O)N1C2CCC1CC(C(=O)O)C2.
What is the InChIKey of 8-ethoxycarbonyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid?
The InChIKey is QLOCSFCPNXJOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-2-16-11(15)12-8-3-4-9(12)6-7(5-8)10(13)14/h7-9H,2-6H2,1H3,(H,13,14).
What are the key properties of 8-ethoxycarbonyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid?
8-ethoxycarbonyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid has a molecular weight of 227.26 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxycarbonyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid is sourced from PubChem (CID 22958903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).