4,4,4-trifluoro-3-[(1-methyl-2-oxopyridine-4-carbonyl)amino]butanoic acid

C11H11F3N2O4 — CID 146077440

IUPAC4,4,4-trifluoro-3-[(1-methyl-2-oxopyridine-4-carbonyl)amino]butanoic acid
SMILESCn1ccc(C(=O)NC(CC(=O)O)C(F)(F)F)cc1=O
InChIInChI=1S/C11H11F3N2O4/c1-16-3-2-6(4-8(16)17)10(20)15-7(5-9(18)19)11(12,13)14/h2-4,7H,5H2,1H3,(H,15,20)(H,18,19)
InChIKeyHVXFOJGKZQGAQJ-UHFFFAOYSA-N
MW292.21 g/mol
LogP0.52
Rot. Bonds4

About 4,4,4-trifluoro-3-[(1-methyl-2-oxopyridine-4-carbonyl)amino]butanoic acid

4,4,4-trifluoro-3-[(1-methyl-2-oxopyridine-4-carbonyl)amino]butanoic acid (PubChem CID 146077440) has the molecular formula C11H11F3N2O4 and a molecular weight of 292.21 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-[(1-methyl-2-oxopyridine-4-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4,4,4-trifluoro-3-[(1-methyl-2-oxopyridine-4-carbonyl)amino]butanoic acid
PubChem CID146077440
Molecular FormulaC11H11F3N2O4
Molecular Weight292.21 g/mol
Exact Mass292.07
IUPAC Name4,4,4-trifluoro-3-[(1-methyl-2-oxopyridine-4-carbonyl)amino]butanoic acid
SMILESCn1ccc(C(=O)NC(CC(=O)O)C(F)(F)F)cc1=O
InChIInChI=1S/C11H11F3N2O4/c1-16-3-2-6(4-8(16)17)10(20)15-7(5-9(18)19)11(12,13)14/h2-4,7H,5H2,1H3,(H,15,20)(H,18,19)
InChIKeyHVXFOJGKZQGAQJ-UHFFFAOYSA-N
XLogP0.52
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4,4,4-trifluoro-3-[(1-methyl-2-oxopyridine-4-carbonyl)amino]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-[(1-methyl-2-oxopyridine-4-carbonyl)amino]butanoic acid?
The IUPAC name of 4,4,4-trifluoro-3-[(1-methyl-2-oxopyridine-4-carbonyl)amino]butanoic acid (CID 146077440) is 4,4,4-trifluoro-3-[(1-methyl-2-oxopyridine-4-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4,4,4-trifluoro-3-[(1-methyl-2-oxopyridine-4-carbonyl)amino]butanoic acid?
The canonical SMILES for 4,4,4-trifluoro-3-[(1-methyl-2-oxopyridine-4-carbonyl)amino]butanoic acid is Cn1ccc(C(=O)NC(CC(=O)O)C(F)(F)F)cc1=O.
What is the InChIKey of 4,4,4-trifluoro-3-[(1-methyl-2-oxopyridine-4-carbonyl)amino]butanoic acid?
The InChIKey is HVXFOJGKZQGAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O4/c1-16-3-2-6(4-8(16)17)10(20)15-7(5-9(18)19)11(12,13)14/h2-4,7H,5H2,1H3,(H,15,20)(H,18,19).
What are the key properties of 4,4,4-trifluoro-3-[(1-methyl-2-oxopyridine-4-carbonyl)amino]butanoic acid?
4,4,4-trifluoro-3-[(1-methyl-2-oxopyridine-4-carbonyl)amino]butanoic acid has a molecular weight of 292.21 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-[(1-methyl-2-oxopyridine-4-carbonyl)amino]butanoic acid is sourced from PubChem (CID 146077440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).