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

C11H11F3N2O4 — CID 43360814

IUPAC3-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C11H11F3N2O4/c1-5(4-8(17)18)15-9(19)6-2-3-7(11(12,13)14)16-10(6)20/h2-3,5H,4H2,1H3,(H,15,19)(H,16,20)(H,17,18)
InChIKeyAVMOIYCTEZLTLK-UHFFFAOYSA-N
MW292.21 g/mol
LogP0.99
Rot. Bonds4

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

3-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]butanoic acid (PubChem CID 43360814) has the molecular formula C11H11F3N2O4 and a molecular weight of 292.21 g/mol. Its IUPAC name is 3-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name3-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]butanoic acid
PubChem CID43360814
Molecular FormulaC11H11F3N2O4
Molecular Weight292.21 g/mol
Exact Mass292.07
IUPAC Name3-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C11H11F3N2O4/c1-5(4-8(17)18)15-9(19)6-2-3-7(11(12,13)14)16-10(6)20/h2-3,5H,4H2,1H3,(H,15,19)(H,16,20)(H,17,18)
InChIKeyAVMOIYCTEZLTLK-UHFFFAOYSA-N
XLogP0.99
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]butanoic acid?
The IUPAC name of 3-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]butanoic acid (CID 43360814) is 3-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]butanoic acid.
What is the SMILES notation for 3-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]butanoic acid?
The canonical SMILES for 3-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]butanoic acid is CC(CC(=O)O)NC(=O)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of 3-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]butanoic acid?
The InChIKey is AVMOIYCTEZLTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O4/c1-5(4-8(17)18)15-9(19)6-2-3-7(11(12,13)14)16-10(6)20/h2-3,5H,4H2,1H3,(H,15,19)(H,16,20)(H,17,18).
What are the key properties of 3-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]butanoic acid?
3-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]butanoic acid has a molecular weight of 292.21 g/mol, XLogP of 0.99, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]butanoic acid is sourced from PubChem (CID 43360814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).