3-(3-amino-2,2-dimethylpropyl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione

C11H18N2O3 — CID 102689233

IUPAC3-(3-amino-2,2-dimethylpropyl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione
SMILESCC(C)(CN)CN1C(=O)C2CCC(O2)C1=O
InChIInChI=1S/C11H18N2O3/c1-11(2,5-12)6-13-9(14)7-3-4-8(16-7)10(13)15/h7-8H,3-6,12H2,1-2H3
InChIKeyNQIYWROPPGURDL-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.11
Rot. Bonds3

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

3-(3-amino-2,2-dimethylpropyl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione (PubChem CID 102689233) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-(3-amino-2,2-dimethylpropyl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione.

Molecular Properties

Compound Name3-(3-amino-2,2-dimethylpropyl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione
PubChem CID102689233
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name3-(3-amino-2,2-dimethylpropyl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione
SMILESCC(C)(CN)CN1C(=O)C2CCC(O2)C1=O
InChIInChI=1S/C11H18N2O3/c1-11(2,5-12)6-13-9(14)7-3-4-8(16-7)10(13)15/h7-8H,3-6,12H2,1-2H3
InChIKeyNQIYWROPPGURDL-UHFFFAOYSA-N
XLogP-0.11
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-2,2-dimethylpropyl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione?
The IUPAC name of 3-(3-amino-2,2-dimethylpropyl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione (CID 102689233) is 3-(3-amino-2,2-dimethylpropyl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione.
What is the SMILES notation for 3-(3-amino-2,2-dimethylpropyl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione?
The canonical SMILES for 3-(3-amino-2,2-dimethylpropyl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione is CC(C)(CN)CN1C(=O)C2CCC(O2)C1=O.
What is the InChIKey of 3-(3-amino-2,2-dimethylpropyl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione?
The InChIKey is NQIYWROPPGURDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-11(2,5-12)6-13-9(14)7-3-4-8(16-7)10(13)15/h7-8H,3-6,12H2,1-2H3.
What are the key properties of 3-(3-amino-2,2-dimethylpropyl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione?
3-(3-amino-2,2-dimethylpropyl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione has a molecular weight of 226.28 g/mol, XLogP of -0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-2,2-dimethylpropyl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione is sourced from PubChem (CID 102689233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).