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

C11H11F3N2O5 — CID 81084525

IUPAC3-methoxy-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid
SMILESCOCC(NC(=O)c1ccc(C(F)(F)F)[nH]c1=O)C(=O)O
InChIInChI=1S/C11H11F3N2O5/c1-21-4-6(10(19)20)15-8(17)5-2-3-7(11(12,13)14)16-9(5)18/h2-3,6H,4H2,1H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyXQYBLRVYJHGTLN-UHFFFAOYSA-N
MW308.21 g/mol
LogP0.22
Rot. Bonds5

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

3-methoxy-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid (PubChem CID 81084525) has the molecular formula C11H11F3N2O5 and a molecular weight of 308.21 g/mol. Its IUPAC name is 3-methoxy-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid
PubChem CID81084525
Molecular FormulaC11H11F3N2O5
Molecular Weight308.21 g/mol
Exact Mass308.06
IUPAC Name3-methoxy-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid
SMILESCOCC(NC(=O)c1ccc(C(F)(F)F)[nH]c1=O)C(=O)O
InChIInChI=1S/C11H11F3N2O5/c1-21-4-6(10(19)20)15-8(17)5-2-3-7(11(12,13)14)16-9(5)18/h2-3,6H,4H2,1H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyXQYBLRVYJHGTLN-UHFFFAOYSA-N
XLogP0.22
TPSA108.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid?
The IUPAC name of 3-methoxy-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid (CID 81084525) is 3-methoxy-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-methoxy-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-methoxy-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid is COCC(NC(=O)c1ccc(C(F)(F)F)[nH]c1=O)C(=O)O.
What is the InChIKey of 3-methoxy-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid?
The InChIKey is XQYBLRVYJHGTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O5/c1-21-4-6(10(19)20)15-8(17)5-2-3-7(11(12,13)14)16-9(5)18/h2-3,6H,4H2,1H3,(H,15,17)(H,16,18)(H,19,20).
What are the key properties of 3-methoxy-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid?
3-methoxy-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid has a molecular weight of 308.21 g/mol, XLogP of 0.22, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid is sourced from PubChem (CID 81084525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).