2-acetamido-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoic acid

C11H11F3N2O4 — CID 64581705

IUPAC2-acetamido-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoic acid
SMILESCC(=O)NC(Cn1cc(C(F)(F)F)ccc1=O)C(=O)O
InChIInChI=1S/C11H11F3N2O4/c1-6(17)15-8(10(19)20)5-16-4-7(11(12,13)14)2-3-9(16)18/h2-4,8H,5H2,1H3,(H,15,17)(H,19,20)
InChIKeyQKBICQUYZYVKSZ-UHFFFAOYSA-N
MW292.21 g/mol
LogP0.46
Rot. Bonds4

About 2-acetamido-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoic acid

2-acetamido-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoic acid (PubChem CID 64581705) has the molecular formula C11H11F3N2O4 and a molecular weight of 292.21 g/mol. Its IUPAC name is 2-acetamido-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoic acid.

Molecular Properties

Compound Name2-acetamido-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoic acid
PubChem CID64581705
Molecular FormulaC11H11F3N2O4
Molecular Weight292.21 g/mol
Exact Mass292.07
IUPAC Name2-acetamido-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoic acid
SMILESCC(=O)NC(Cn1cc(C(F)(F)F)ccc1=O)C(=O)O
InChIInChI=1S/C11H11F3N2O4/c1-6(17)15-8(10(19)20)5-16-4-7(11(12,13)14)2-3-9(16)18/h2-4,8H,5H2,1H3,(H,15,17)(H,19,20)
InChIKeyQKBICQUYZYVKSZ-UHFFFAOYSA-N
XLogP0.46
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoic acid?
The IUPAC name of 2-acetamido-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoic acid (CID 64581705) is 2-acetamido-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoic acid.
What is the SMILES notation for 2-acetamido-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoic acid?
The canonical SMILES for 2-acetamido-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoic acid is CC(=O)NC(Cn1cc(C(F)(F)F)ccc1=O)C(=O)O.
What is the InChIKey of 2-acetamido-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoic acid?
The InChIKey is QKBICQUYZYVKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O4/c1-6(17)15-8(10(19)20)5-16-4-7(11(12,13)14)2-3-9(16)18/h2-4,8H,5H2,1H3,(H,15,17)(H,19,20).
What are the key properties of 2-acetamido-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoic acid?
2-acetamido-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoic acid has a molecular weight of 292.21 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoic acid is sourced from PubChem (CID 64581705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).