3-(1-hydroxy-3-methylbutan-2-yl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione

C11H17NO4 — CID 102690137

IUPAC3-(1-hydroxy-3-methylbutan-2-yl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione
SMILESCC(C)C(CO)N1C(=O)C2CCC(O2)C1=O
InChIInChI=1S/C11H17NO4/c1-6(2)7(5-13)12-10(14)8-3-4-9(16-8)11(12)15/h6-9,13H,3-5H2,1-2H3
InChIKeyYUCNZEANVIPOLJ-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.08
Rot. Bonds3

About 3-(1-hydroxy-3-methylbutan-2-yl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione

3-(1-hydroxy-3-methylbutan-2-yl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione (PubChem CID 102690137) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 3-(1-hydroxy-3-methylbutan-2-yl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione.

Molecular Properties

Compound Name3-(1-hydroxy-3-methylbutan-2-yl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione
PubChem CID102690137
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name3-(1-hydroxy-3-methylbutan-2-yl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione
SMILESCC(C)C(CO)N1C(=O)C2CCC(O2)C1=O
InChIInChI=1S/C11H17NO4/c1-6(2)7(5-13)12-10(14)8-3-4-9(16-8)11(12)15/h6-9,13H,3-5H2,1-2H3
InChIKeyYUCNZEANVIPOLJ-UHFFFAOYSA-N
XLogP-0.08
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.08
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-(1-hydroxy-3-methylbutan-2-yl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione?
The IUPAC name of 3-(1-hydroxy-3-methylbutan-2-yl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione (CID 102690137) is 3-(1-hydroxy-3-methylbutan-2-yl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione.
What is the SMILES notation for 3-(1-hydroxy-3-methylbutan-2-yl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione?
The canonical SMILES for 3-(1-hydroxy-3-methylbutan-2-yl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione is CC(C)C(CO)N1C(=O)C2CCC(O2)C1=O.
What is the InChIKey of 3-(1-hydroxy-3-methylbutan-2-yl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione?
The InChIKey is YUCNZEANVIPOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-6(2)7(5-13)12-10(14)8-3-4-9(16-8)11(12)15/h6-9,13H,3-5H2,1-2H3.
What are the key properties of 3-(1-hydroxy-3-methylbutan-2-yl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione?
3-(1-hydroxy-3-methylbutan-2-yl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione has a molecular weight of 227.26 g/mol, XLogP of -0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxy-3-methylbutan-2-yl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione is sourced from PubChem (CID 102690137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).