tert-butyl (2R)-2-[(2R)-4-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]-3-oxomorpholin-2-yl]-2-hydroxyacetate

C16H18F4N2O5 — CID 154441536

IUPACtert-butyl (2R)-2-[(2R)-4-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]-3-oxomorpholin-2-yl]-2-hydroxyacetate
SMILESCC(C)(C)OC(=O)[C@H](O)[C@H]1OCCN(c2nc(C(F)(F)F)ccc2F)C1=O
InChIInChI=1S/C16H18F4N2O5/c1-15(2,3)27-14(25)10(23)11-13(24)22(6-7-26-11)12-8(17)4-5-9(21-12)16(18,19)20/h4-5,10-11,23H,6-7H2,1-3H3/t10-,11-/m1/s1
InChIKeyPEJYMLIDDJLJCO-GHMZBOCLSA-N
MW394.32 g/mol
LogP1.67
Rot. Bonds3

About tert-butyl (2R)-2-[(2R)-4-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]-3-oxomorpholin-2-yl]-2-hydroxyacetate

tert-butyl (2R)-2-[(2R)-4-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]-3-oxomorpholin-2-yl]-2-hydroxyacetate (PubChem CID 154441536) has the molecular formula C16H18F4N2O5 and a molecular weight of 394.32 g/mol. Its IUPAC name is tert-butyl (2R)-2-[(2R)-4-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]-3-oxomorpholin-2-yl]-2-hydroxyacetate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[(2R)-4-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]-3-oxomorpholin-2-yl]-2-hydroxyacetate
PubChem CID154441536
Molecular FormulaC16H18F4N2O5
Molecular Weight394.32 g/mol
Exact Mass394.12
IUPAC Nametert-butyl (2R)-2-[(2R)-4-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]-3-oxomorpholin-2-yl]-2-hydroxyacetate
SMILESCC(C)(C)OC(=O)[C@H](O)[C@H]1OCCN(c2nc(C(F)(F)F)ccc2F)C1=O
InChIInChI=1S/C16H18F4N2O5/c1-15(2,3)27-14(25)10(23)11-13(24)22(6-7-26-11)12-8(17)4-5-9(21-12)16(18,19)20/h4-5,10-11,23H,6-7H2,1-3H3/t10-,11-/m1/s1
InChIKeyPEJYMLIDDJLJCO-GHMZBOCLSA-N
XLogP1.67
TPSA88.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.32
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl (2R)-2-[(2R)-4-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]-3-oxomorpholin-2-yl]-2-hydroxyacetate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 2-[4-[4-fluoro-3-(oxan-4-yloxy)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetate
CID 76743059
tert-butyl (2R)-2-[(2R)-4-[2-(difluoromethoxy)-5-fluorophenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetate
CID 67222978
tert-butyl (2R)-2-[(2R)-4-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetate
CID 58181990
methyl 2-[2-[1-hydroxy-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxomorpholin-4-yl]-5-(trifluoromethoxy)benzoate
CID 77243541
methyl 2-(difluoromethoxy)-3-[(2R)-2-[(1R)-1-hydroxy-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxomorpholin-4-yl]benzoate
CID 67223177
tert-butyl 2-hydroxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetate
CID 67222708
tert-butyl (2R)-2-hydroxy-2-[(2R)-4-[4-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-oxomorpholin-2-yl]acetate
CID 58181511
tert-butyl 2-hydroxy-2-[4-[4-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-oxomorpholin-2-yl]acetate
CID 76717019
tert-butyl 2-[4-[3-(dimethylcarbamoyl)-2-methylphenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetate
CID 76717191
tert-butyl (2R)-2-hydroxy-2-[(2R)-4-[3-(2-morpholin-4-yl-2-oxoethyl)phenyl]-3-oxomorpholin-2-yl]acetate
CID 58290529
tert-butyl (2R)-2-[(2R)-4-[3-[(2R,5R)-2,5-dimethylpyrrolidine-1-carbonyl]phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetate
CID 58181599
tert-butyl (2R)-2-hydroxy-2-[(2R)-3-oxo-4-(3-phenylmethoxyphenyl)morpholin-2-yl]acetate
CID 58290450

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[(2R)-4-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]-3-oxomorpholin-2-yl]-2-hydroxyacetate?
The IUPAC name of tert-butyl (2R)-2-[(2R)-4-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]-3-oxomorpholin-2-yl]-2-hydroxyacetate (CID 154441536) is tert-butyl (2R)-2-[(2R)-4-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]-3-oxomorpholin-2-yl]-2-hydroxyacetate.
What is the SMILES notation for tert-butyl (2R)-2-[(2R)-4-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]-3-oxomorpholin-2-yl]-2-hydroxyacetate?
The canonical SMILES for tert-butyl (2R)-2-[(2R)-4-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]-3-oxomorpholin-2-yl]-2-hydroxyacetate is CC(C)(C)OC(=O)[C@H](O)[C@H]1OCCN(c2nc(C(F)(F)F)ccc2F)C1=O.
What is the InChIKey of tert-butyl (2R)-2-[(2R)-4-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]-3-oxomorpholin-2-yl]-2-hydroxyacetate?
The InChIKey is PEJYMLIDDJLJCO-GHMZBOCLSA-N. The full InChI is InChI=1S/C16H18F4N2O5/c1-15(2,3)27-14(25)10(23)11-13(24)22(6-7-26-11)12-8(17)4-5-9(21-12)16(18,19)20/h4-5,10-11,23H,6-7H2,1-3H3/t10-,11-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[(2R)-4-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]-3-oxomorpholin-2-yl]-2-hydroxyacetate?
tert-butyl (2R)-2-[(2R)-4-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]-3-oxomorpholin-2-yl]-2-hydroxyacetate has a molecular weight of 394.32 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[(2R)-4-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]-3-oxomorpholin-2-yl]-2-hydroxyacetate is sourced from PubChem (CID 154441536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).