1,3-dimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxylic acid

C11H15NO4 — CID 69347522

IUPAC1,3-dimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxylic acid
SMILESCN1C(=O)C2CC(C(=O)O)CC(C)(C2)C1=O
InChIInChI=1S/C11H15NO4/c1-11-4-6(3-7(5-11)9(14)15)8(13)12(2)10(11)16/h6-7H,3-5H2,1-2H3,(H,14,15)
InChIKeyJIZRZTLCDTVTFL-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.49
Rot. Bonds1

About 1,3-dimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxylic acid

1,3-dimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxylic acid (PubChem CID 69347522) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 1,3-dimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxylic acid.

Molecular Properties

Compound Name1,3-dimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxylic acid
PubChem CID69347522
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name1,3-dimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxylic acid
SMILESCN1C(=O)C2CC(C(=O)O)CC(C)(C2)C1=O
InChIInChI=1S/C11H15NO4/c1-11-4-6(3-7(5-11)9(14)15)8(13)12(2)10(11)16/h6-7H,3-5H2,1-2H3,(H,14,15)
InChIKeyJIZRZTLCDTVTFL-UHFFFAOYSA-N
XLogP0.49
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,3-dimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxylic acid with MolForge

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Related Compounds

trans-(1S,3R)-4,4-dimethylcyclopentane-1,3-dicarboxylic acid
CID 130964910
1-hydroxy-2,6-dimethyl-2,6-diphenylpiperidine-4-carboxylic acid
CID 22340196
1-hydroxy-2,2,7,7-tetramethylazepane-4-carboxylic acid
CID 18522538
3,3-dimethyl-4-oxocyclopentane-1-carboxylic acid
CID 567708
2,2,6,6-tetraethyl-1-hydroxypiperidine-4-carboxylic acid
CID 176571405
(6R,8aR)-2,2-dimethyl-3-oxo-1,5,6,7,8,8a-hexahydroindolizine-6-carboxylic acid
CID 99646275
3-hydroxy-3-methylcyclobutane-1-carboxylic acid
CID 161059263
(8R)-1-methyl-2,4-dioxo-1,3-diazaspiro[4.4]nonane-8-carboxylic acid
CID 67113783
3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103550936
1-hydroxy-2,2-dimethyl-6-methylidenepiperidine-4-carboxylic acid
CID 89178801
(1S,5S)-9-oxo-3-oxabicyclo[3.3.1]nonane-7-carboxylic acid
CID 98124662
(1S,5R)-9-oxobicyclo[3.3.1]nonane-3-carboxylic acid
CID 826294

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxylic acid?
The IUPAC name of 1,3-dimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxylic acid (CID 69347522) is 1,3-dimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxylic acid.
What is the SMILES notation for 1,3-dimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxylic acid?
The canonical SMILES for 1,3-dimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxylic acid is CN1C(=O)C2CC(C(=O)O)CC(C)(C2)C1=O.
What is the InChIKey of 1,3-dimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxylic acid?
The InChIKey is JIZRZTLCDTVTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-11-4-6(3-7(5-11)9(14)15)8(13)12(2)10(11)16/h6-7H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 1,3-dimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxylic acid?
1,3-dimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxylic acid has a molecular weight of 225.24 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxylic acid is sourced from PubChem (CID 69347522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).