(2R)-2-acetyloxy-2-[(2R)-4-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]-3-oxomorpholin-2-yl]acetic acid

C14H12F4N2O6 — CID 118591222

IUPAC(2R)-2-acetyloxy-2-[(2R)-4-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]-3-oxomorpholin-2-yl]acetic acid
SMILESCC(=O)O[C@@H](C(=O)O)[C@H]1OCCN(c2nc(C(F)(F)F)ccc2F)C1=O
InChIInChI=1S/C14H12F4N2O6/c1-6(21)26-10(13(23)24)9-12(22)20(4-5-25-9)11-7(15)2-3-8(19-11)14(16,17)18/h2-3,9-10H,4-5H2,1H3,(H,23,24)/t9-,10-/m1/s1
InChIKeyFOOIQOVGIDUVRO-NXEZZACHSA-N
MW380.25 g/mol
LogP0.99
Rot. Bonds4

About (2R)-2-acetyloxy-2-[(2R)-4-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]-3-oxomorpholin-2-yl]acetic acid

(2R)-2-acetyloxy-2-[(2R)-4-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]-3-oxomorpholin-2-yl]acetic acid (PubChem CID 118591222) has the molecular formula C14H12F4N2O6 and a molecular weight of 380.25 g/mol. Its IUPAC name is (2R)-2-acetyloxy-2-[(2R)-4-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]-3-oxomorpholin-2-yl]acetic acid.

Molecular Properties

Compound Name(2R)-2-acetyloxy-2-[(2R)-4-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]-3-oxomorpholin-2-yl]acetic acid
PubChem CID118591222
Molecular FormulaC14H12F4N2O6
Molecular Weight380.25 g/mol
Exact Mass380.06
IUPAC Name(2R)-2-acetyloxy-2-[(2R)-4-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]-3-oxomorpholin-2-yl]acetic acid
SMILESCC(=O)O[C@@H](C(=O)O)[C@H]1OCCN(c2nc(C(F)(F)F)ccc2F)C1=O
InChIInChI=1S/C14H12F4N2O6/c1-6(21)26-10(13(23)24)9-12(22)20(4-5-25-9)11-7(15)2-3-8(19-11)14(16,17)18/h2-3,9-10H,4-5H2,1H3,(H,23,24)/t9-,10-/m1/s1
InChIKeyFOOIQOVGIDUVRO-NXEZZACHSA-N
XLogP0.99
TPSA106.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.25
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-2-acetyloxy-2-[(2R)-4-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]-3-oxomorpholin-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 (2R)-2-acetyloxy-2-[(2R)-4-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]-3-oxomorpholin-2-yl]acetic acid?
The IUPAC name of (2R)-2-acetyloxy-2-[(2R)-4-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]-3-oxomorpholin-2-yl]acetic acid (CID 118591222) is (2R)-2-acetyloxy-2-[(2R)-4-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]-3-oxomorpholin-2-yl]acetic acid.
What is the SMILES notation for (2R)-2-acetyloxy-2-[(2R)-4-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]-3-oxomorpholin-2-yl]acetic acid?
The canonical SMILES for (2R)-2-acetyloxy-2-[(2R)-4-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]-3-oxomorpholin-2-yl]acetic acid is CC(=O)O[C@@H](C(=O)O)[C@H]1OCCN(c2nc(C(F)(F)F)ccc2F)C1=O.
What is the InChIKey of (2R)-2-acetyloxy-2-[(2R)-4-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]-3-oxomorpholin-2-yl]acetic acid?
The InChIKey is FOOIQOVGIDUVRO-NXEZZACHSA-N. The full InChI is InChI=1S/C14H12F4N2O6/c1-6(21)26-10(13(23)24)9-12(22)20(4-5-25-9)11-7(15)2-3-8(19-11)14(16,17)18/h2-3,9-10H,4-5H2,1H3,(H,23,24)/t9-,10-/m1/s1.
What are the key properties of (2R)-2-acetyloxy-2-[(2R)-4-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]-3-oxomorpholin-2-yl]acetic acid?
(2R)-2-acetyloxy-2-[(2R)-4-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]-3-oxomorpholin-2-yl]acetic acid has a molecular weight of 380.25 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetyloxy-2-[(2R)-4-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]-3-oxomorpholin-2-yl]acetic acid is sourced from PubChem (CID 118591222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).