4-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)pyridine-2-carboxylic acid

C14H16N2O4 — CID 63650964

IUPAC4-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)pyridine-2-carboxylic acid
SMILESCC(C)C1(C)CC(=O)N(c2ccnc(C(=O)O)c2)C1=O
InChIInChI=1S/C14H16N2O4/c1-8(2)14(3)7-11(17)16(13(14)20)9-4-5-15-10(6-9)12(18)19/h4-6,8H,7H2,1-3H3,(H,18,19)
InChIKeyZNNCOVYZOINAOA-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.71
Rot. Bonds3

About 4-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)pyridine-2-carboxylic acid

4-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)pyridine-2-carboxylic acid (PubChem CID 63650964) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 4-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)pyridine-2-carboxylic acid
PubChem CID63650964
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name4-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)pyridine-2-carboxylic acid
SMILESCC(C)C1(C)CC(=O)N(c2ccnc(C(=O)O)c2)C1=O
InChIInChI=1S/C14H16N2O4/c1-8(2)14(3)7-11(17)16(13(14)20)9-4-5-15-10(6-9)12(18)19/h4-6,8H,7H2,1-3H3,(H,18,19)
InChIKeyZNNCOVYZOINAOA-UHFFFAOYSA-N
XLogP1.71
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.71
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 4-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)pyridine-2-carboxylic acid?
The IUPAC name of 4-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)pyridine-2-carboxylic acid (CID 63650964) is 4-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)pyridine-2-carboxylic acid is CC(C)C1(C)CC(=O)N(c2ccnc(C(=O)O)c2)C1=O.
What is the InChIKey of 4-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)pyridine-2-carboxylic acid?
The InChIKey is ZNNCOVYZOINAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-8(2)14(3)7-11(17)16(13(14)20)9-4-5-15-10(6-9)12(18)19/h4-6,8H,7H2,1-3H3,(H,18,19).
What are the key properties of 4-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)pyridine-2-carboxylic acid?
4-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)pyridine-2-carboxylic acid has a molecular weight of 276.29 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 63650964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).