tert-butyl 2-hydroxy-2-[3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetate

C16H19F3N2O5 — CID 76742889

IUPACtert-butyl 2-hydroxy-2-[3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetate
SMILESCC(C)(C)OC(=O)C(O)C1OCCN(c2cccc(C(F)(F)F)n2)C1=O
InChIInChI=1S/C16H19F3N2O5/c1-15(2,3)26-14(24)11(22)12-13(23)21(7-8-25-12)10-6-4-5-9(20-10)16(17,18)19/h4-6,11-12,22H,7-8H2,1-3H3
InChIKeyLPSRJRXLVAYZHF-UHFFFAOYSA-N
MW376.33 g/mol
LogP1.53
Rot. Bonds3

About tert-butyl 2-hydroxy-2-[3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetate

tert-butyl 2-hydroxy-2-[3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetate (PubChem CID 76742889) has the molecular formula C16H19F3N2O5 and a molecular weight of 376.33 g/mol. Its IUPAC name is tert-butyl 2-hydroxy-2-[3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-hydroxy-2-[3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetate
PubChem CID76742889
Molecular FormulaC16H19F3N2O5
Molecular Weight376.33 g/mol
Exact Mass376.12
IUPAC Nametert-butyl 2-hydroxy-2-[3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetate
SMILESCC(C)(C)OC(=O)C(O)C1OCCN(c2cccc(C(F)(F)F)n2)C1=O
InChIInChI=1S/C16H19F3N2O5/c1-15(2,3)26-14(24)11(22)12-13(23)21(7-8-25-12)10-6-4-5-9(20-10)16(17,18)19/h4-6,11-12,22H,7-8H2,1-3H3
InChIKeyLPSRJRXLVAYZHF-UHFFFAOYSA-N
XLogP1.53
TPSA88.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.33
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-hydroxy-2-[3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetate?
The IUPAC name of tert-butyl 2-hydroxy-2-[3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetate (CID 76742889) is tert-butyl 2-hydroxy-2-[3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetate.
What is the SMILES notation for tert-butyl 2-hydroxy-2-[3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetate?
The canonical SMILES for tert-butyl 2-hydroxy-2-[3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetate is CC(C)(C)OC(=O)C(O)C1OCCN(c2cccc(C(F)(F)F)n2)C1=O.
What is the InChIKey of tert-butyl 2-hydroxy-2-[3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetate?
The InChIKey is LPSRJRXLVAYZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O5/c1-15(2,3)26-14(24)11(22)12-13(23)21(7-8-25-12)10-6-4-5-9(20-10)16(17,18)19/h4-6,11-12,22H,7-8H2,1-3H3.
What are the key properties of tert-butyl 2-hydroxy-2-[3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetate?
tert-butyl 2-hydroxy-2-[3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetate has a molecular weight of 376.33 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-hydroxy-2-[3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetate is sourced from PubChem (CID 76742889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).