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

C14H23NO3 — CID 106353562

IUPAC3-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-azabicyclo[3.2.1]octane-2,4-dione
SMILESCC(C)(C)C(CCO)N1C(=O)C2CCC(C2)C1=O
InChIInChI=1S/C14H23NO3/c1-14(2,3)11(6-7-16)15-12(17)9-4-5-10(8-9)13(15)18/h9-11,16H,4-8H2,1-3H3
InChIKeyLIPNZDRZCNPTKU-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.57
Rot. Bonds3

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

3-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-azabicyclo[3.2.1]octane-2,4-dione (PubChem CID 106353562) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 3-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-azabicyclo[3.2.1]octane-2,4-dione.

Molecular Properties

Compound Name3-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-azabicyclo[3.2.1]octane-2,4-dione
PubChem CID106353562
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name3-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-azabicyclo[3.2.1]octane-2,4-dione
SMILESCC(C)(C)C(CCO)N1C(=O)C2CCC(C2)C1=O
InChIInChI=1S/C14H23NO3/c1-14(2,3)11(6-7-16)15-12(17)9-4-5-10(8-9)13(15)18/h9-11,16H,4-8H2,1-3H3
InChIKeyLIPNZDRZCNPTKU-UHFFFAOYSA-N
XLogP1.57
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-4,4-dimethylpentan-3-yl)-3-azabicyclo[3.2.1]octane-2,4-dione?
The IUPAC name of 3-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-azabicyclo[3.2.1]octane-2,4-dione (CID 106353562) is 3-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-azabicyclo[3.2.1]octane-2,4-dione.
What is the SMILES notation for 3-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-azabicyclo[3.2.1]octane-2,4-dione?
The canonical SMILES for 3-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-azabicyclo[3.2.1]octane-2,4-dione is CC(C)(C)C(CCO)N1C(=O)C2CCC(C2)C1=O.
What is the InChIKey of 3-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-azabicyclo[3.2.1]octane-2,4-dione?
The InChIKey is LIPNZDRZCNPTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-14(2,3)11(6-7-16)15-12(17)9-4-5-10(8-9)13(15)18/h9-11,16H,4-8H2,1-3H3.
What are the key properties of 3-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-azabicyclo[3.2.1]octane-2,4-dione?
3-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-azabicyclo[3.2.1]octane-2,4-dione has a molecular weight of 253.34 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-azabicyclo[3.2.1]octane-2,4-dione is sourced from PubChem (CID 106353562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).