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

C11H11F3N2O4 — CID 61022501

IUPAC2-[ethyl-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C11H11F3N2O4/c1-2-16(5-8(17)18)10(20)6-3-4-7(11(12,13)14)15-9(6)19/h3-4H,2,5H2,1H3,(H,15,19)(H,17,18)
InChIKeyWRFRHTZXRHQOSQ-UHFFFAOYSA-N
MW292.21 g/mol
LogP0.94
Rot. Bonds4

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

2-[ethyl-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]acetic acid (PubChem CID 61022501) has the molecular formula C11H11F3N2O4 and a molecular weight of 292.21 g/mol. Its IUPAC name is 2-[ethyl-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]acetic acid
PubChem CID61022501
Molecular FormulaC11H11F3N2O4
Molecular Weight292.21 g/mol
Exact Mass292.07
IUPAC Name2-[ethyl-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C11H11F3N2O4/c1-2-16(5-8(17)18)10(20)6-3-4-7(11(12,13)14)15-9(6)19/h3-4H,2,5H2,1H3,(H,15,19)(H,17,18)
InChIKeyWRFRHTZXRHQOSQ-UHFFFAOYSA-N
XLogP0.94
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]acetic acid (CID 61022501) is 2-[ethyl-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]acetic acid is CCN(CC(=O)O)C(=O)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of 2-[ethyl-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]acetic acid?
The InChIKey is WRFRHTZXRHQOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O4/c1-2-16(5-8(17)18)10(20)6-3-4-7(11(12,13)14)15-9(6)19/h3-4H,2,5H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 2-[ethyl-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]acetic acid?
2-[ethyl-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]acetic acid has a molecular weight of 292.21 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 61022501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).