5-(4-tert-butyl-2,5-dioxoimidazolidin-4-yl)pyridine-2-carboxylic acid

C13H15N3O4 — CID 134495197

IUPAC5-(4-tert-butyl-2,5-dioxoimidazolidin-4-yl)pyridine-2-carboxylic acid
SMILESCC(C)(C)C1(c2ccc(C(=O)O)nc2)NC(=O)NC1=O
InChIInChI=1S/C13H15N3O4/c1-12(2,3)13(10(19)15-11(20)16-13)7-4-5-8(9(17)18)14-6-7/h4-6H,1-3H3,(H,17,18)(H2,15,16,19,20)
InChIKeyNLOOSYNNDRQGQT-UHFFFAOYSA-N
MW277.28 g/mol
LogP0.86
Rot. Bonds2

About 5-(4-tert-butyl-2,5-dioxoimidazolidin-4-yl)pyridine-2-carboxylic acid

5-(4-tert-butyl-2,5-dioxoimidazolidin-4-yl)pyridine-2-carboxylic acid (PubChem CID 134495197) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is 5-(4-tert-butyl-2,5-dioxoimidazolidin-4-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-tert-butyl-2,5-dioxoimidazolidin-4-yl)pyridine-2-carboxylic acid
PubChem CID134495197
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Name5-(4-tert-butyl-2,5-dioxoimidazolidin-4-yl)pyridine-2-carboxylic acid
SMILESCC(C)(C)C1(c2ccc(C(=O)O)nc2)NC(=O)NC1=O
InChIInChI=1S/C13H15N3O4/c1-12(2,3)13(10(19)15-11(20)16-13)7-4-5-8(9(17)18)14-6-7/h4-6H,1-3H3,(H,17,18)(H2,15,16,19,20)
InChIKeyNLOOSYNNDRQGQT-UHFFFAOYSA-N
XLogP0.86
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butyl-2,5-dioxoimidazolidin-4-yl)pyridine-2-carboxylic acid?
The IUPAC name of 5-(4-tert-butyl-2,5-dioxoimidazolidin-4-yl)pyridine-2-carboxylic acid (CID 134495197) is 5-(4-tert-butyl-2,5-dioxoimidazolidin-4-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(4-tert-butyl-2,5-dioxoimidazolidin-4-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(4-tert-butyl-2,5-dioxoimidazolidin-4-yl)pyridine-2-carboxylic acid is CC(C)(C)C1(c2ccc(C(=O)O)nc2)NC(=O)NC1=O.
What is the InChIKey of 5-(4-tert-butyl-2,5-dioxoimidazolidin-4-yl)pyridine-2-carboxylic acid?
The InChIKey is NLOOSYNNDRQGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c1-12(2,3)13(10(19)15-11(20)16-13)7-4-5-8(9(17)18)14-6-7/h4-6H,1-3H3,(H,17,18)(H2,15,16,19,20).
What are the key properties of 5-(4-tert-butyl-2,5-dioxoimidazolidin-4-yl)pyridine-2-carboxylic acid?
5-(4-tert-butyl-2,5-dioxoimidazolidin-4-yl)pyridine-2-carboxylic acid has a molecular weight of 277.28 g/mol, XLogP of 0.86, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butyl-2,5-dioxoimidazolidin-4-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 134495197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).