3-[2-(ethylamino)ethyl]-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione

C10H16N2O3 — CID 102690186

IUPAC3-[2-(ethylamino)ethyl]-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione
SMILESCCNCCN1C(=O)C2CCC(O2)C1=O
InChIInChI=1S/C10H16N2O3/c1-2-11-5-6-12-9(13)7-3-4-8(15-7)10(12)14/h7-8,11H,2-6H2,1H3
InChIKeyQXPWSTREABFTBF-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.49
Rot. Bonds4

About 3-[2-(ethylamino)ethyl]-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione

3-[2-(ethylamino)ethyl]-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione (PubChem CID 102690186) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 3-[2-(ethylamino)ethyl]-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione.

Molecular Properties

Compound Name3-[2-(ethylamino)ethyl]-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione
PubChem CID102690186
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name3-[2-(ethylamino)ethyl]-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione
SMILESCCNCCN1C(=O)C2CCC(O2)C1=O
InChIInChI=1S/C10H16N2O3/c1-2-11-5-6-12-9(13)7-3-4-8(15-7)10(12)14/h7-8,11H,2-6H2,1H3
InChIKeyQXPWSTREABFTBF-UHFFFAOYSA-N
XLogP-0.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-[2-(ethylamino)ethyl]-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione 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-[2-(ethylamino)ethyl]-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione?
The IUPAC name of 3-[2-(ethylamino)ethyl]-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione (CID 102690186) is 3-[2-(ethylamino)ethyl]-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione.
What is the SMILES notation for 3-[2-(ethylamino)ethyl]-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione?
The canonical SMILES for 3-[2-(ethylamino)ethyl]-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione is CCNCCN1C(=O)C2CCC(O2)C1=O.
What is the InChIKey of 3-[2-(ethylamino)ethyl]-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione?
The InChIKey is QXPWSTREABFTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-2-11-5-6-12-9(13)7-3-4-8(15-7)10(12)14/h7-8,11H,2-6H2,1H3.
What are the key properties of 3-[2-(ethylamino)ethyl]-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione?
3-[2-(ethylamino)ethyl]-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione has a molecular weight of 212.25 g/mol, XLogP of -0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(ethylamino)ethyl]-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione is sourced from PubChem (CID 102690186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).