2-[(1-methyl-2-oxopyridine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid

C11H11F3N2O4 — CID 79261115

IUPAC2-[(1-methyl-2-oxopyridine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCn1ccc(C(=O)N(CC(=O)O)CC(F)(F)F)cc1=O
InChIInChI=1S/C11H11F3N2O4/c1-15-3-2-7(4-8(15)17)10(20)16(5-9(18)19)6-11(12,13)14/h2-4H,5-6H2,1H3,(H,18,19)
InChIKeyPVKYBAUPMYTHJM-UHFFFAOYSA-N
MW292.21 g/mol
LogP0.47
Rot. Bonds4

About 2-[(1-methyl-2-oxopyridine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(1-methyl-2-oxopyridine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79261115) has the molecular formula C11H11F3N2O4 and a molecular weight of 292.21 g/mol. Its IUPAC name is 2-[(1-methyl-2-oxopyridine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(1-methyl-2-oxopyridine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79261115
Molecular FormulaC11H11F3N2O4
Molecular Weight292.21 g/mol
Exact Mass292.07
IUPAC Name2-[(1-methyl-2-oxopyridine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCn1ccc(C(=O)N(CC(=O)O)CC(F)(F)F)cc1=O
InChIInChI=1S/C11H11F3N2O4/c1-15-3-2-7(4-8(15)17)10(20)16(5-9(18)19)6-11(12,13)14/h2-4H,5-6H2,1H3,(H,18,19)
InChIKeyPVKYBAUPMYTHJM-UHFFFAOYSA-N
XLogP0.47
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyl-2-oxopyridine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(1-methyl-2-oxopyridine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79261115) is 2-[(1-methyl-2-oxopyridine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(1-methyl-2-oxopyridine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(1-methyl-2-oxopyridine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is Cn1ccc(C(=O)N(CC(=O)O)CC(F)(F)F)cc1=O.
What is the InChIKey of 2-[(1-methyl-2-oxopyridine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is PVKYBAUPMYTHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O4/c1-15-3-2-7(4-8(15)17)10(20)16(5-9(18)19)6-11(12,13)14/h2-4H,5-6H2,1H3,(H,18,19).
What are the key properties of 2-[(1-methyl-2-oxopyridine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(1-methyl-2-oxopyridine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 292.21 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyl-2-oxopyridine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79261115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).