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

C14H13F3N2O6 — CID 76742839

IUPAC2-acetyloxy-2-[3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetic acid
SMILESCC(=O)OC(C(=O)O)C1OCCN(c2cccc(C(F)(F)F)n2)C1=O
InChIInChI=1S/C14H13F3N2O6/c1-7(20)25-11(13(22)23)10-12(21)19(5-6-24-10)9-4-2-3-8(18-9)14(15,16)17/h2-4,10-11H,5-6H2,1H3,(H,22,23)
InChIKeyCLWLBBGPACDLNP-UHFFFAOYSA-N
MW362.26 g/mol
LogP0.85
Rot. Bonds4

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

2-acetyloxy-2-[3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetic acid (PubChem CID 76742839) has the molecular formula C14H13F3N2O6 and a molecular weight of 362.26 g/mol. Its IUPAC name is 2-acetyloxy-2-[3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-acetyloxy-2-[3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetic acid
PubChem CID76742839
Molecular FormulaC14H13F3N2O6
Molecular Weight362.26 g/mol
Exact Mass362.07
IUPAC Name2-acetyloxy-2-[3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetic acid
SMILESCC(=O)OC(C(=O)O)C1OCCN(c2cccc(C(F)(F)F)n2)C1=O
InChIInChI=1S/C14H13F3N2O6/c1-7(20)25-11(13(22)23)10-12(21)19(5-6-24-10)9-4-2-3-8(18-9)14(15,16)17/h2-4,10-11H,5-6H2,1H3,(H,22,23)
InChIKeyCLWLBBGPACDLNP-UHFFFAOYSA-N
XLogP0.85
TPSA106.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.26
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-acetyloxy-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-acetyloxy-2-[3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-acetyloxy-2-[3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetic acid (CID 76742839) is 2-acetyloxy-2-[3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-acetyloxy-2-[3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-acetyloxy-2-[3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetic acid is CC(=O)OC(C(=O)O)C1OCCN(c2cccc(C(F)(F)F)n2)C1=O.
What is the InChIKey of 2-acetyloxy-2-[3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetic acid?
The InChIKey is CLWLBBGPACDLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O6/c1-7(20)25-11(13(22)23)10-12(21)19(5-6-24-10)9-4-2-3-8(18-9)14(15,16)17/h2-4,10-11H,5-6H2,1H3,(H,22,23).
What are the key properties of 2-acetyloxy-2-[3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetic acid?
2-acetyloxy-2-[3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetic acid has a molecular weight of 362.26 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyloxy-2-[3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 76742839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).