4-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)pyridine-2-carboxylic acid

C11H8N2O4 — CID 63650201

IUPAC4-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(N2C(=O)C3CC3C2=O)ccn1
InChIInChI=1S/C11H8N2O4/c14-9-6-4-7(6)10(15)13(9)5-1-2-12-8(3-5)11(16)17/h1-3,6-7H,4H2,(H,16,17)
InChIKeyIAIABOOYDKAHKH-UHFFFAOYSA-N
MW232.19 g/mol
LogP0.29
Rot. Bonds2

About 4-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)pyridine-2-carboxylic acid

4-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)pyridine-2-carboxylic acid (PubChem CID 63650201) has the molecular formula C11H8N2O4 and a molecular weight of 232.19 g/mol. Its IUPAC name is 4-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)pyridine-2-carboxylic acid
PubChem CID63650201
Molecular FormulaC11H8N2O4
Molecular Weight232.19 g/mol
Exact Mass232.05
IUPAC Name4-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(N2C(=O)C3CC3C2=O)ccn1
InChIInChI=1S/C11H8N2O4/c14-9-6-4-7(6)10(15)13(9)5-1-2-12-8(3-5)11(16)17/h1-3,6-7H,4H2,(H,16,17)
InChIKeyIAIABOOYDKAHKH-UHFFFAOYSA-N
XLogP0.29
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.19
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3,5-dioxothiomorpholin-4-yl)pyridine-2-carboxylic acid
CID 104570439
3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)benzoic acid
CID 54918750
4-carbonochloridoylpyridine-2-carboxylic acid
CID 156640763
2-(5-ethyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)pyridine-4-carboxylic acid
CID 114512335
4-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 63650964
4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-2-carboxylic acid
CID 66371853
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]pyridine-2-carboxylic acid
CID 102726689
4-(4-ethenyl-2-oxopyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 168686329
3-(4-hydroxyphenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 60885794
4-(3-oxo-1,4-diazepan-1-yl)pyridine-2-carboxylic acid
CID 65363741
4-(3-cyclopropylpyrazol-1-yl)pyridine-2-carboxylic acid
CID 62493956
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)pyridine-2-carboxylic acid
CID 43620518

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)pyridine-2-carboxylic acid?
The IUPAC name of 4-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)pyridine-2-carboxylic acid (CID 63650201) is 4-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)pyridine-2-carboxylic acid is O=C(O)c1cc(N2C(=O)C3CC3C2=O)ccn1.
What is the InChIKey of 4-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)pyridine-2-carboxylic acid?
The InChIKey is IAIABOOYDKAHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O4/c14-9-6-4-7(6)10(15)13(9)5-1-2-12-8(3-5)11(16)17/h1-3,6-7H,4H2,(H,16,17).
What are the key properties of 4-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)pyridine-2-carboxylic acid?
4-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)pyridine-2-carboxylic acid has a molecular weight of 232.19 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 63650201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).