3,3,3-trifluoro-2-methyl-2-[2-(2-oxo-1-pyridinyl)ethylamino]propanoic acid

C11H13F3N2O3 — CID 82907177

IUPAC3,3,3-trifluoro-2-methyl-2-[2-(2-oxo-1-pyridinyl)ethylamino]propanoic acid
SMILESCC(NCCn1ccccc1=O)(C(=O)O)C(F)(F)F
InChIInChI=1S/C11H13F3N2O3/c1-10(9(18)19,11(12,13)14)15-5-7-16-6-3-2-4-8(16)17/h2-4,6,15H,5,7H2,1H3,(H,18,19)
InChIKeyXFNMQJFTNDOKSZ-UHFFFAOYSA-N
MW278.23 g/mol
LogP0.84
Rot. Bonds5

About 3,3,3-trifluoro-2-methyl-2-[2-(2-oxo-1-pyridinyl)ethylamino]propanoic acid

3,3,3-trifluoro-2-methyl-2-[2-(2-oxo-1-pyridinyl)ethylamino]propanoic acid (PubChem CID 82907177) has the molecular formula C11H13F3N2O3 and a molecular weight of 278.23 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-methyl-2-[2-(2-oxo-1-pyridinyl)ethylamino]propanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-methyl-2-[2-(2-oxo-1-pyridinyl)ethylamino]propanoic acid
PubChem CID82907177
Molecular FormulaC11H13F3N2O3
Molecular Weight278.23 g/mol
Exact Mass278.09
IUPAC Name3,3,3-trifluoro-2-methyl-2-[2-(2-oxo-1-pyridinyl)ethylamino]propanoic acid
SMILESCC(NCCn1ccccc1=O)(C(=O)O)C(F)(F)F
InChIInChI=1S/C11H13F3N2O3/c1-10(9(18)19,11(12,13)14)15-5-7-16-6-3-2-4-8(16)17/h2-4,6,15H,5,7H2,1H3,(H,18,19)
InChIKeyXFNMQJFTNDOKSZ-UHFFFAOYSA-N
XLogP0.84
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-methyl-2-[2-(2-oxo-1-pyridinyl)ethylamino]propanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-methyl-2-[2-(2-oxo-1-pyridinyl)ethylamino]propanoic acid (CID 82907177) is 3,3,3-trifluoro-2-methyl-2-[2-(2-oxo-1-pyridinyl)ethylamino]propanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-methyl-2-[2-(2-oxo-1-pyridinyl)ethylamino]propanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-methyl-2-[2-(2-oxo-1-pyridinyl)ethylamino]propanoic acid is CC(NCCn1ccccc1=O)(C(=O)O)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-methyl-2-[2-(2-oxo-1-pyridinyl)ethylamino]propanoic acid?
The InChIKey is XFNMQJFTNDOKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O3/c1-10(9(18)19,11(12,13)14)15-5-7-16-6-3-2-4-8(16)17/h2-4,6,15H,5,7H2,1H3,(H,18,19).
What are the key properties of 3,3,3-trifluoro-2-methyl-2-[2-(2-oxo-1-pyridinyl)ethylamino]propanoic acid?
3,3,3-trifluoro-2-methyl-2-[2-(2-oxo-1-pyridinyl)ethylamino]propanoic acid has a molecular weight of 278.23 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-methyl-2-[2-(2-oxo-1-pyridinyl)ethylamino]propanoic acid is sourced from PubChem (CID 82907177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).