[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-(5-amino-2-oxo-1-pyridinyl)acetate

C11H12F3N3O4 — CID 62814821

IUPAC[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-(5-amino-2-oxo-1-pyridinyl)acetate
SMILESNc1ccc(=O)n(CC(=O)OCC(=O)NCC(F)(F)F)c1
InChIInChI=1S/C11H12F3N3O4/c12-11(13,14)6-16-8(18)5-21-10(20)4-17-3-7(15)1-2-9(17)19/h1-3H,4-6,15H2,(H,16,18)
InChIKeyJWPWKEUBWMVTSZ-UHFFFAOYSA-N
MW307.23 g/mol
LogP-0.35
Rot. Bonds5

About [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-(5-amino-2-oxo-1-pyridinyl)acetate

[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-(5-amino-2-oxo-1-pyridinyl)acetate (PubChem CID 62814821) has the molecular formula C11H12F3N3O4 and a molecular weight of 307.23 g/mol. Its IUPAC name is [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-(5-amino-2-oxo-1-pyridinyl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-(5-amino-2-oxo-1-pyridinyl)acetate
PubChem CID62814821
Molecular FormulaC11H12F3N3O4
Molecular Weight307.23 g/mol
Exact Mass307.08
IUPAC Name[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-(5-amino-2-oxo-1-pyridinyl)acetate
SMILESNc1ccc(=O)n(CC(=O)OCC(=O)NCC(F)(F)F)c1
InChIInChI=1S/C11H12F3N3O4/c12-11(13,14)6-16-8(18)5-21-10(20)4-17-3-7(15)1-2-9(17)19/h1-3H,4-6,15H2,(H,16,18)
InChIKeyJWPWKEUBWMVTSZ-UHFFFAOYSA-N
XLogP-0.35
TPSA103.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.23
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-(5-amino-2-oxo-1-pyridinyl)acetate?
The IUPAC name of [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-(5-amino-2-oxo-1-pyridinyl)acetate (CID 62814821) is [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-(5-amino-2-oxo-1-pyridinyl)acetate.
What is the SMILES notation for [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-(5-amino-2-oxo-1-pyridinyl)acetate?
The canonical SMILES for [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-(5-amino-2-oxo-1-pyridinyl)acetate is Nc1ccc(=O)n(CC(=O)OCC(=O)NCC(F)(F)F)c1.
What is the InChIKey of [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-(5-amino-2-oxo-1-pyridinyl)acetate?
The InChIKey is JWPWKEUBWMVTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O4/c12-11(13,14)6-16-8(18)5-21-10(20)4-17-3-7(15)1-2-9(17)19/h1-3H,4-6,15H2,(H,16,18).
What are the key properties of [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-(5-amino-2-oxo-1-pyridinyl)acetate?
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-(5-amino-2-oxo-1-pyridinyl)acetate has a molecular weight of 307.23 g/mol, XLogP of -0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-(5-amino-2-oxo-1-pyridinyl)acetate is sourced from PubChem (CID 62814821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).