4-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]butanoic acid

C11H11F3N2O4 — CID 43355002

IUPAC4-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]butanoic acid
SMILESO=C(O)CCCNC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C11H11F3N2O4/c12-11(13,14)7-4-3-6(10(20)16-7)9(19)15-5-1-2-8(17)18/h3-4H,1-2,5H2,(H,15,19)(H,16,20)(H,17,18)
InChIKeyONQBMJHSKYHYTC-UHFFFAOYSA-N
MW292.21 g/mol
LogP0.99
Rot. Bonds5

About 4-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]butanoic acid

4-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]butanoic acid (PubChem CID 43355002) has the molecular formula C11H11F3N2O4 and a molecular weight of 292.21 g/mol. Its IUPAC name is 4-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]butanoic acid
PubChem CID43355002
Molecular FormulaC11H11F3N2O4
Molecular Weight292.21 g/mol
Exact Mass292.07
IUPAC Name4-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]butanoic acid
SMILESO=C(O)CCCNC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C11H11F3N2O4/c12-11(13,14)7-4-3-6(10(20)16-7)9(19)15-5-1-2-8(17)18/h3-4H,1-2,5H2,(H,15,19)(H,16,20)(H,17,18)
InChIKeyONQBMJHSKYHYTC-UHFFFAOYSA-N
XLogP0.99
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]butanoic acid?
The IUPAC name of 4-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]butanoic acid (CID 43355002) is 4-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]butanoic acid.
What is the SMILES notation for 4-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]butanoic acid?
The canonical SMILES for 4-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]butanoic acid is O=C(O)CCCNC(=O)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of 4-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]butanoic acid?
The InChIKey is ONQBMJHSKYHYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O4/c12-11(13,14)7-4-3-6(10(20)16-7)9(19)15-5-1-2-8(17)18/h3-4H,1-2,5H2,(H,15,19)(H,16,20)(H,17,18).
What are the key properties of 4-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]butanoic acid?
4-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]butanoic acid has a molecular weight of 292.21 g/mol, XLogP of 0.99, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]butanoic acid is sourced from PubChem (CID 43355002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).