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

C11H11F3N2O5 — CID 43170270

IUPAC3-hydroxy-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]butanoic acid
SMILESCC(O)C(NC(=O)c1ccc(C(F)(F)F)[nH]c1=O)C(=O)O
InChIInChI=1S/C11H11F3N2O5/c1-4(17)7(10(20)21)16-9(19)5-2-3-6(11(12,13)14)15-8(5)18/h2-4,7,17H,1H3,(H,15,18)(H,16,19)(H,20,21)
InChIKeyNWQGMZHPHWFFTI-UHFFFAOYSA-N
MW308.21 g/mol
LogP-0.04
Rot. Bonds4

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

3-hydroxy-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]butanoic acid (PubChem CID 43170270) has the molecular formula C11H11F3N2O5 and a molecular weight of 308.21 g/mol. Its IUPAC name is 3-hydroxy-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]butanoic acid
PubChem CID43170270
Molecular FormulaC11H11F3N2O5
Molecular Weight308.21 g/mol
Exact Mass308.06
IUPAC Name3-hydroxy-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]butanoic acid
SMILESCC(O)C(NC(=O)c1ccc(C(F)(F)F)[nH]c1=O)C(=O)O
InChIInChI=1S/C11H11F3N2O5/c1-4(17)7(10(20)21)16-9(19)5-2-3-6(11(12,13)14)15-8(5)18/h2-4,7,17H,1H3,(H,15,18)(H,16,19)(H,20,21)
InChIKeyNWQGMZHPHWFFTI-UHFFFAOYSA-N
XLogP-0.04
TPSA119.49 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 5-0.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]butanoic acid?
The IUPAC name of 3-hydroxy-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]butanoic acid (CID 43170270) is 3-hydroxy-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]butanoic acid.
What is the SMILES notation for 3-hydroxy-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]butanoic acid?
The canonical SMILES for 3-hydroxy-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]butanoic acid is CC(O)C(NC(=O)c1ccc(C(F)(F)F)[nH]c1=O)C(=O)O.
What is the InChIKey of 3-hydroxy-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]butanoic acid?
The InChIKey is NWQGMZHPHWFFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O5/c1-4(17)7(10(20)21)16-9(19)5-2-3-6(11(12,13)14)15-8(5)18/h2-4,7,17H,1H3,(H,15,18)(H,16,19)(H,20,21).
What are the key properties of 3-hydroxy-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]butanoic acid?
3-hydroxy-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]butanoic acid has a molecular weight of 308.21 g/mol, XLogP of -0.04, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]butanoic acid is sourced from PubChem (CID 43170270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).