3,3,3-trifluoro-2-methyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid

C10H9F3N2O4 — CID 79792797

IUPAC3,3,3-trifluoro-2-methyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
SMILESCC(NC(=O)c1ccc[nH]c1=O)(C(=O)O)C(F)(F)F
InChIInChI=1S/C10H9F3N2O4/c1-9(8(18)19,10(11,12)13)15-7(17)5-3-2-4-14-6(5)16/h2-4H,1H3,(H,14,16)(H,15,17)(H,18,19)
InChIKeyUTEDVUAKSUJZCJ-UHFFFAOYSA-N
MW278.19 g/mol
LogP0.51
Rot. Bonds3

About 3,3,3-trifluoro-2-methyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid

3,3,3-trifluoro-2-methyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid (PubChem CID 79792797) has the molecular formula C10H9F3N2O4 and a molecular weight of 278.19 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-methyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-methyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
PubChem CID79792797
Molecular FormulaC10H9F3N2O4
Molecular Weight278.19 g/mol
Exact Mass278.05
IUPAC Name3,3,3-trifluoro-2-methyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
SMILESCC(NC(=O)c1ccc[nH]c1=O)(C(=O)O)C(F)(F)F
InChIInChI=1S/C10H9F3N2O4/c1-9(8(18)19,10(11,12)13)15-7(17)5-3-2-4-14-6(5)16/h2-4H,1H3,(H,14,16)(H,15,17)(H,18,19)
InChIKeyUTEDVUAKSUJZCJ-UHFFFAOYSA-N
XLogP0.51
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3,3,3-trifluoro-2-methyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]propanoic 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 3,3,3-trifluoro-2-methyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-methyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid (CID 79792797) is 3,3,3-trifluoro-2-methyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-methyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-methyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid is CC(NC(=O)c1ccc[nH]c1=O)(C(=O)O)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-methyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid?
The InChIKey is UTEDVUAKSUJZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O4/c1-9(8(18)19,10(11,12)13)15-7(17)5-3-2-4-14-6(5)16/h2-4H,1H3,(H,14,16)(H,15,17)(H,18,19).
What are the key properties of 3,3,3-trifluoro-2-methyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid?
3,3,3-trifluoro-2-methyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid has a molecular weight of 278.19 g/mol, XLogP of 0.51, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-methyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 79792797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).