2-hydroxy-2-[3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetic acid

C12H11F3N2O5 — CID 118496195

IUPAC2-hydroxy-2-[3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetic acid
SMILESO=C(O)C(O)C1OCCN(c2cccc(C(F)(F)F)n2)C1=O
InChIInChI=1S/C12H11F3N2O5/c13-12(14,15)6-2-1-3-7(16-6)17-4-5-22-9(10(17)19)8(18)11(20)21/h1-3,8-9,18H,4-5H2,(H,20,21)
InChIKeyLZOCLLIUAOTXTG-UHFFFAOYSA-N
MW320.22 g/mol
LogP0.28
Rot. Bonds3

About 2-hydroxy-2-[3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetic acid

2-hydroxy-2-[3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetic acid (PubChem CID 118496195) has the molecular formula C12H11F3N2O5 and a molecular weight of 320.22 g/mol. Its IUPAC name is 2-hydroxy-2-[3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-[3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetic acid
PubChem CID118496195
Molecular FormulaC12H11F3N2O5
Molecular Weight320.22 g/mol
Exact Mass320.06
IUPAC Name2-hydroxy-2-[3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetic acid
SMILESO=C(O)C(O)C1OCCN(c2cccc(C(F)(F)F)n2)C1=O
InChIInChI=1S/C12H11F3N2O5/c13-12(14,15)6-2-1-3-7(16-6)17-4-5-22-9(10(17)19)8(18)11(20)21/h1-3,8-9,18H,4-5H2,(H,20,21)
InChIKeyLZOCLLIUAOTXTG-UHFFFAOYSA-N
XLogP0.28
TPSA99.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-hydroxy-2-[3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-hydroxy-2-[3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetic acid (CID 118496195) is 2-hydroxy-2-[3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-hydroxy-2-[3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-hydroxy-2-[3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetic acid is O=C(O)C(O)C1OCCN(c2cccc(C(F)(F)F)n2)C1=O.
What is the InChIKey of 2-hydroxy-2-[3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetic acid?
The InChIKey is LZOCLLIUAOTXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O5/c13-12(14,15)6-2-1-3-7(16-6)17-4-5-22-9(10(17)19)8(18)11(20)21/h1-3,8-9,18H,4-5H2,(H,20,21).
What are the key properties of 2-hydroxy-2-[3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetic acid?
2-hydroxy-2-[3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetic acid has a molecular weight of 320.22 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 118496195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).