tert-butyl (2R)-2-(3-fluoro-5-hydroxyphenyl)morpholine-4-carboxylate

C15H20FNO4 — CID 171653169

IUPACtert-butyl (2R)-2-(3-fluoro-5-hydroxyphenyl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCO[C@H](c2cc(O)cc(F)c2)C1
InChIInChI=1S/C15H20FNO4/c1-15(2,3)21-14(19)17-4-5-20-13(9-17)10-6-11(16)8-12(18)7-10/h6-8,13,18H,4-5,9H2,1-3H3/t13-/m0/s1
InChIKeyWINNYODTUJUPMK-ZDUSSCGKSA-N
MW297.33 g/mol
LogP2.84
Rot. Bonds1

About tert-butyl (2R)-2-(3-fluoro-5-hydroxyphenyl)morpholine-4-carboxylate

tert-butyl (2R)-2-(3-fluoro-5-hydroxyphenyl)morpholine-4-carboxylate (PubChem CID 171653169) has the molecular formula C15H20FNO4 and a molecular weight of 297.33 g/mol. Its IUPAC name is tert-butyl (2R)-2-(3-fluoro-5-hydroxyphenyl)morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-(3-fluoro-5-hydroxyphenyl)morpholine-4-carboxylate
PubChem CID171653169
Molecular FormulaC15H20FNO4
Molecular Weight297.33 g/mol
Exact Mass297.14
IUPAC Nametert-butyl (2R)-2-(3-fluoro-5-hydroxyphenyl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCO[C@H](c2cc(O)cc(F)c2)C1
InChIInChI=1S/C15H20FNO4/c1-15(2,3)21-14(19)17-4-5-20-13(9-17)10-6-11(16)8-12(18)7-10/h6-8,13,18H,4-5,9H2,1-3H3/t13-/m0/s1
InChIKeyWINNYODTUJUPMK-ZDUSSCGKSA-N
XLogP2.84
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-(4-fluoro-3-hydroxyphenyl)morpholine-4-carboxylate
CID 171653389
tert-butyl 2-phenylmorpholine-4-carboxylate
CID 58315777
tert-butyl 2-(1-hydroxypyridin-1-ium-4-yl)morpholine-4-carboxylate
CID 176950779
tert-butyl 2-pyridin-3-ylmorpholine-4-carboxylate
CID 16737894
tert-butyl (2R)-2-[4-(nitrosomethyl)phenyl]morpholine-4-carboxylate
CID 123673146
tert-butyl (2S)-2-[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]morpholine-4-carboxylate
CID 66705835
tert-butyl (2S)-2-(6-amino-2-pyridinyl)morpholine-4-carboxylate
CID 129322939
tert-butyl 3-[(3-fluoro-5-hydroxyphenyl)methylamino]pyrrolidine-1-carboxylate
CID 104879100
tert-butyl (2S)-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine-4-carboxylate
CID 124635561
tert-butyl 4-(3,5-difluorophenyl)-3-hydroxypiperidine-1-carboxylate
CID 54596029
tert-butyl 2-(2-aminopyrimidin-4-yl)morpholine-4-carboxylate
CID 172992087
tert-butyl 2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]morpholine-4-carboxylate
CID 66618582

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-(3-fluoro-5-hydroxyphenyl)morpholine-4-carboxylate?
The IUPAC name of tert-butyl (2R)-2-(3-fluoro-5-hydroxyphenyl)morpholine-4-carboxylate (CID 171653169) is tert-butyl (2R)-2-(3-fluoro-5-hydroxyphenyl)morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-(3-fluoro-5-hydroxyphenyl)morpholine-4-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-(3-fluoro-5-hydroxyphenyl)morpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCO[C@H](c2cc(O)cc(F)c2)C1.
What is the InChIKey of tert-butyl (2R)-2-(3-fluoro-5-hydroxyphenyl)morpholine-4-carboxylate?
The InChIKey is WINNYODTUJUPMK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20FNO4/c1-15(2,3)21-14(19)17-4-5-20-13(9-17)10-6-11(16)8-12(18)7-10/h6-8,13,18H,4-5,9H2,1-3H3/t13-/m0/s1.
What are the key properties of tert-butyl (2R)-2-(3-fluoro-5-hydroxyphenyl)morpholine-4-carboxylate?
tert-butyl (2R)-2-(3-fluoro-5-hydroxyphenyl)morpholine-4-carboxylate has a molecular weight of 297.33 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-(3-fluoro-5-hydroxyphenyl)morpholine-4-carboxylate is sourced from PubChem (CID 171653169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).