3,3,3-trifluoro-2-methyl-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid

C11H11F3N2O4 — CID 104772736

IUPAC3,3,3-trifluoro-2-methyl-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
SMILESCc1ccc(C(=O)NC(C)(C(=O)O)C(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C11H11F3N2O4/c1-5-3-4-6(7(17)15-5)8(18)16-10(2,9(19)20)11(12,13)14/h3-4H,1-2H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyLMZZHOAQPVWBAH-UHFFFAOYSA-N
MW292.21 g/mol
LogP0.82
Rot. Bonds3

About 3,3,3-trifluoro-2-methyl-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid

3,3,3-trifluoro-2-methyl-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid (PubChem CID 104772736) has the molecular formula C11H11F3N2O4 and a molecular weight of 292.21 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-methyl-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-methyl-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
PubChem CID104772736
Molecular FormulaC11H11F3N2O4
Molecular Weight292.21 g/mol
Exact Mass292.07
IUPAC Name3,3,3-trifluoro-2-methyl-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
SMILESCc1ccc(C(=O)NC(C)(C(=O)O)C(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C11H11F3N2O4/c1-5-3-4-6(7(17)15-5)8(18)16-10(2,9(19)20)11(12,13)14/h3-4H,1-2H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyLMZZHOAQPVWBAH-UHFFFAOYSA-N
XLogP0.82
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-methyl-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-methyl-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid (CID 104772736) is 3,3,3-trifluoro-2-methyl-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-methyl-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-methyl-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid is Cc1ccc(C(=O)NC(C)(C(=O)O)C(F)(F)F)c(=O)[nH]1.
What is the InChIKey of 3,3,3-trifluoro-2-methyl-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid?
The InChIKey is LMZZHOAQPVWBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O4/c1-5-3-4-6(7(17)15-5)8(18)16-10(2,9(19)20)11(12,13)14/h3-4H,1-2H3,(H,15,17)(H,16,18)(H,19,20).
What are the key properties of 3,3,3-trifluoro-2-methyl-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid?
3,3,3-trifluoro-2-methyl-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid has a molecular weight of 292.21 g/mol, XLogP of 0.82, 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-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 104772736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).