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

C14H13F3N2O6 — CID 58290397

IUPAC(2R)-2-acetyloxy-2-[(2R)-3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetic acid
SMILESCC(=O)O[C@@H](C(=O)O)[C@H]1OCCN(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)/t10-,11-/m1/s1
InChIKeyCLWLBBGPACDLNP-GHMZBOCLSA-N
MW362.26 g/mol
LogP0.85
Rot. Bonds4

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

(2R)-2-acetyloxy-2-[(2R)-3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetic acid (PubChem CID 58290397) has the molecular formula C14H13F3N2O6 and a molecular weight of 362.26 g/mol. Its IUPAC name is (2R)-2-acetyloxy-2-[(2R)-3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name(2R)-2-acetyloxy-2-[(2R)-3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetic acid
PubChem CID58290397
Molecular FormulaC14H13F3N2O6
Molecular Weight362.26 g/mol
Exact Mass362.07
IUPAC Name(2R)-2-acetyloxy-2-[(2R)-3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetic acid
SMILESCC(=O)O[C@@H](C(=O)O)[C@H]1OCCN(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)/t10-,11-/m1/s1
InChIKeyCLWLBBGPACDLNP-GHMZBOCLSA-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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetyloxy-2-[(2R)-3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetic acid?
The IUPAC name of (2R)-2-acetyloxy-2-[(2R)-3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetic acid (CID 58290397) is (2R)-2-acetyloxy-2-[(2R)-3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for (2R)-2-acetyloxy-2-[(2R)-3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetic acid?
The canonical SMILES for (2R)-2-acetyloxy-2-[(2R)-3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetic acid is CC(=O)O[C@@H](C(=O)O)[C@H]1OCCN(c2cccc(C(F)(F)F)n2)C1=O.
What is the InChIKey of (2R)-2-acetyloxy-2-[(2R)-3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetic acid?
The InChIKey is CLWLBBGPACDLNP-GHMZBOCLSA-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)/t10-,11-/m1/s1.
What are the key properties of (2R)-2-acetyloxy-2-[(2R)-3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetic acid?
(2R)-2-acetyloxy-2-[(2R)-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 (2R)-2-acetyloxy-2-[(2R)-3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 58290397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).