tert-butyl (2R)-2-[(2R)-4-(3,5-difluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetate

C16H19F2NO5 — CID 58181619

IUPACtert-butyl (2R)-2-[(2R)-4-(3,5-difluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetate
SMILESCC(C)(C)OC(=O)[C@H](O)[C@H]1OCCN(c2cc(F)cc(F)c2)C1=O
InChIInChI=1S/C16H19F2NO5/c1-16(2,3)24-15(22)12(20)13-14(21)19(4-5-23-13)11-7-9(17)6-10(18)8-11/h6-8,12-13,20H,4-5H2,1-3H3/t12-,13-/m1/s1
InChIKeyYUSMFQXITNOSGJ-CHWSQXEVSA-N
MW343.33 g/mol
LogP1.40
Rot. Bonds3

About tert-butyl (2R)-2-[(2R)-4-(3,5-difluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetate

tert-butyl (2R)-2-[(2R)-4-(3,5-difluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetate (PubChem CID 58181619) has the molecular formula C16H19F2NO5 and a molecular weight of 343.33 g/mol. Its IUPAC name is tert-butyl (2R)-2-[(2R)-4-(3,5-difluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[(2R)-4-(3,5-difluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetate
PubChem CID58181619
Molecular FormulaC16H19F2NO5
Molecular Weight343.33 g/mol
Exact Mass343.12
IUPAC Nametert-butyl (2R)-2-[(2R)-4-(3,5-difluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetate
SMILESCC(C)(C)OC(=O)[C@H](O)[C@H]1OCCN(c2cc(F)cc(F)c2)C1=O
InChIInChI=1S/C16H19F2NO5/c1-16(2,3)24-15(22)12(20)13-14(21)19(4-5-23-13)11-7-9(17)6-10(18)8-11/h6-8,12-13,20H,4-5H2,1-3H3/t12-,13-/m1/s1
InChIKeyYUSMFQXITNOSGJ-CHWSQXEVSA-N
XLogP1.40
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[(2R)-4-(3,5-difluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetate?
The IUPAC name of tert-butyl (2R)-2-[(2R)-4-(3,5-difluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetate (CID 58181619) is tert-butyl (2R)-2-[(2R)-4-(3,5-difluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetate.
What is the SMILES notation for tert-butyl (2R)-2-[(2R)-4-(3,5-difluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetate?
The canonical SMILES for tert-butyl (2R)-2-[(2R)-4-(3,5-difluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetate is CC(C)(C)OC(=O)[C@H](O)[C@H]1OCCN(c2cc(F)cc(F)c2)C1=O.
What is the InChIKey of tert-butyl (2R)-2-[(2R)-4-(3,5-difluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetate?
The InChIKey is YUSMFQXITNOSGJ-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H19F2NO5/c1-16(2,3)24-15(22)12(20)13-14(21)19(4-5-23-13)11-7-9(17)6-10(18)8-11/h6-8,12-13,20H,4-5H2,1-3H3/t12-,13-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[(2R)-4-(3,5-difluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetate?
tert-butyl (2R)-2-[(2R)-4-(3,5-difluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetate has a molecular weight of 343.33 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[(2R)-4-(3,5-difluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetate is sourced from PubChem (CID 58181619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).