2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]butanoic acid

C11H11F3N2O4 — CID 43469291

IUPAC2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]butanoic acid
SMILESCCC(NC(=O)c1ccc(C(F)(F)F)[nH]c1=O)C(=O)O
InChIInChI=1S/C11H11F3N2O4/c1-2-6(10(19)20)15-8(17)5-3-4-7(11(12,13)14)16-9(5)18/h3-4,6H,2H2,1H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyJVTAJEJUPNKJBH-UHFFFAOYSA-N
MW292.21 g/mol
LogP0.99
Rot. Bonds4

About 2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]butanoic acid

2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]butanoic acid (PubChem CID 43469291) has the molecular formula C11H11F3N2O4 and a molecular weight of 292.21 g/mol. Its IUPAC name is 2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]butanoic acid
PubChem CID43469291
Molecular FormulaC11H11F3N2O4
Molecular Weight292.21 g/mol
Exact Mass292.07
IUPAC Name2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]butanoic acid
SMILESCCC(NC(=O)c1ccc(C(F)(F)F)[nH]c1=O)C(=O)O
InChIInChI=1S/C11H11F3N2O4/c1-2-6(10(19)20)15-8(17)5-3-4-7(11(12,13)14)16-9(5)18/h3-4,6H,2H2,1H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyJVTAJEJUPNKJBH-UHFFFAOYSA-N
XLogP0.99
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]butanoic acid?
The IUPAC name of 2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]butanoic acid (CID 43469291) is 2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]butanoic acid.
What is the SMILES notation for 2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]butanoic acid?
The canonical SMILES for 2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]butanoic acid is CCC(NC(=O)c1ccc(C(F)(F)F)[nH]c1=O)C(=O)O.
What is the InChIKey of 2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]butanoic acid?
The InChIKey is JVTAJEJUPNKJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O4/c1-2-6(10(19)20)15-8(17)5-3-4-7(11(12,13)14)16-9(5)18/h3-4,6H,2H2,1H3,(H,15,17)(H,16,18)(H,19,20).
What are the key properties of 2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]butanoic acid?
2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]butanoic acid has a molecular weight of 292.21 g/mol, XLogP of 0.99, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]butanoic acid is sourced from PubChem (CID 43469291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).