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

C12H19NO3 — CID 103552302

IUPAC3-(1-hydroxy-2-methylbutan-2-yl)-3-azabicyclo[3.2.1]octane-2,4-dione
SMILESCCC(C)(CO)N1C(=O)C2CCC(C2)C1=O
InChIInChI=1S/C12H19NO3/c1-3-12(2,7-14)13-10(15)8-4-5-9(6-8)11(13)16/h8-9,14H,3-7H2,1-2H3
InChIKeyZFQXWQASTSILBP-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.93
Rot. Bonds3

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

3-(1-hydroxy-2-methylbutan-2-yl)-3-azabicyclo[3.2.1]octane-2,4-dione (PubChem CID 103552302) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-(1-hydroxy-2-methylbutan-2-yl)-3-azabicyclo[3.2.1]octane-2,4-dione.

Molecular Properties

Compound Name3-(1-hydroxy-2-methylbutan-2-yl)-3-azabicyclo[3.2.1]octane-2,4-dione
PubChem CID103552302
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name3-(1-hydroxy-2-methylbutan-2-yl)-3-azabicyclo[3.2.1]octane-2,4-dione
SMILESCCC(C)(CO)N1C(=O)C2CCC(C2)C1=O
InChIInChI=1S/C12H19NO3/c1-3-12(2,7-14)13-10(15)8-4-5-9(6-8)11(13)16/h8-9,14H,3-7H2,1-2H3
InChIKeyZFQXWQASTSILBP-UHFFFAOYSA-N
XLogP0.93
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(1-hydroxy-2-methylbutan-2-yl)-3-azabicyclo[3.2.1]octane-2,4-dione with MolForge

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Related Compounds

1-(1-hydroxy-2-methylbutan-2-yl)pyrrolidine-2,5-dione
CID 64558407
1-(1-hydroxy-2-methylbutan-2-yl)azepane-2,7-dione
CID 64558404
2-(2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)-2-ethylbutanenitrile
CID 103551844
3-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-azabicyclo[3.2.1]octane-2,4-dione
CID 106353562
3-[(2S)-1-hydroxypropan-2-yl]-3-azabicyclo[3.2.1]octane-2,4-dione
CID 103552317
3-[1-(hydroxymethyl)cyclopropyl]-3-azabicyclo[3.2.1]octane-2,4-dione
CID 103552347
2-(2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)-3,3-dimethylbutanoic acid
CID 103551477
2-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114010763
2-[(2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)methyl]pentanoic acid
CID 103551504
2-(2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)hexanoic acid
CID 103551429
3-bromo-1-(1-hydroxy-3-methylpentan-3-yl)pyrrolidin-2-one
CID 106172630
1-(1-hydroxy-2-methylbutan-2-yl)-1,3-diazinan-2-one
CID 104549687

Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxy-2-methylbutan-2-yl)-3-azabicyclo[3.2.1]octane-2,4-dione?
The IUPAC name of 3-(1-hydroxy-2-methylbutan-2-yl)-3-azabicyclo[3.2.1]octane-2,4-dione (CID 103552302) is 3-(1-hydroxy-2-methylbutan-2-yl)-3-azabicyclo[3.2.1]octane-2,4-dione.
What is the SMILES notation for 3-(1-hydroxy-2-methylbutan-2-yl)-3-azabicyclo[3.2.1]octane-2,4-dione?
The canonical SMILES for 3-(1-hydroxy-2-methylbutan-2-yl)-3-azabicyclo[3.2.1]octane-2,4-dione is CCC(C)(CO)N1C(=O)C2CCC(C2)C1=O.
What is the InChIKey of 3-(1-hydroxy-2-methylbutan-2-yl)-3-azabicyclo[3.2.1]octane-2,4-dione?
The InChIKey is ZFQXWQASTSILBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-3-12(2,7-14)13-10(15)8-4-5-9(6-8)11(13)16/h8-9,14H,3-7H2,1-2H3.
What are the key properties of 3-(1-hydroxy-2-methylbutan-2-yl)-3-azabicyclo[3.2.1]octane-2,4-dione?
3-(1-hydroxy-2-methylbutan-2-yl)-3-azabicyclo[3.2.1]octane-2,4-dione has a molecular weight of 225.29 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxy-2-methylbutan-2-yl)-3-azabicyclo[3.2.1]octane-2,4-dione is sourced from PubChem (CID 103552302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).