2-[2-(2-oxo-1-pyridinyl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid

C11H13F3N2O3 — CID 82908012

IUPAC2-[2-(2-oxo-1-pyridinyl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CCn1ccccc1=O)CC(F)(F)F
InChIInChI=1S/C11H13F3N2O3/c12-11(13,14)8-15(7-10(18)19)5-6-16-4-2-1-3-9(16)17/h1-4H,5-8H2,(H,18,19)
InChIKeyWFSHPKKTGGNYNA-UHFFFAOYSA-N
MW278.23 g/mol
LogP0.80
Rot. Bonds6

About 2-[2-(2-oxo-1-pyridinyl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid

2-[2-(2-oxo-1-pyridinyl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 82908012) has the molecular formula C11H13F3N2O3 and a molecular weight of 278.23 g/mol. Its IUPAC name is 2-[2-(2-oxo-1-pyridinyl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-(2-oxo-1-pyridinyl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID82908012
Molecular FormulaC11H13F3N2O3
Molecular Weight278.23 g/mol
Exact Mass278.09
IUPAC Name2-[2-(2-oxo-1-pyridinyl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CCn1ccccc1=O)CC(F)(F)F
InChIInChI=1S/C11H13F3N2O3/c12-11(13,14)8-15(7-10(18)19)5-6-16-4-2-1-3-9(16)17/h1-4H,5-8H2,(H,18,19)
InChIKeyWFSHPKKTGGNYNA-UHFFFAOYSA-N
XLogP0.80
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-oxo-1-pyridinyl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[2-(2-oxo-1-pyridinyl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid (CID 82908012) is 2-[2-(2-oxo-1-pyridinyl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[2-(2-oxo-1-pyridinyl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[2-(2-oxo-1-pyridinyl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(CCn1ccccc1=O)CC(F)(F)F.
What is the InChIKey of 2-[2-(2-oxo-1-pyridinyl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is WFSHPKKTGGNYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O3/c12-11(13,14)8-15(7-10(18)19)5-6-16-4-2-1-3-9(16)17/h1-4H,5-8H2,(H,18,19).
What are the key properties of 2-[2-(2-oxo-1-pyridinyl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[2-(2-oxo-1-pyridinyl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 278.23 g/mol, XLogP of 0.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-oxo-1-pyridinyl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 82908012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).