tert-butyl 2-hydroxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetate

C20H26N2O7 — CID 67222708

IUPACtert-butyl 2-hydroxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetate
SMILESCC(C)(C)OC(=O)C(O)[C@H]1OCCN(c2cccc(N3CCOCC3=O)c2)C1=O
InChIInChI=1S/C20H26N2O7/c1-20(2,3)29-19(26)16(24)17-18(25)22(8-10-28-17)14-6-4-5-13(11-14)21-7-9-27-12-15(21)23/h4-6,11,16-17,24H,7-10,12H2,1-3H3/t16?,17-/m1/s1
InChIKeySZPVIHXYDMGPPF-ZYMOGRSISA-N
MW406.44 g/mol
LogP0.48
Rot. Bonds4

About tert-butyl 2-hydroxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetate

tert-butyl 2-hydroxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetate (PubChem CID 67222708) has the molecular formula C20H26N2O7 and a molecular weight of 406.44 g/mol. Its IUPAC name is tert-butyl 2-hydroxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-hydroxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetate
PubChem CID67222708
Molecular FormulaC20H26N2O7
Molecular Weight406.44 g/mol
Exact Mass406.17
IUPAC Nametert-butyl 2-hydroxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetate
SMILESCC(C)(C)OC(=O)C(O)[C@H]1OCCN(c2cccc(N3CCOCC3=O)c2)C1=O
InChIInChI=1S/C20H26N2O7/c1-20(2,3)29-19(26)16(24)17-18(25)22(8-10-28-17)14-6-4-5-13(11-14)21-7-9-27-12-15(21)23/h4-6,11,16-17,24H,7-10,12H2,1-3H3/t16?,17-/m1/s1
InChIKeySZPVIHXYDMGPPF-ZYMOGRSISA-N
XLogP0.48
TPSA105.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-hydroxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetate?
The IUPAC name of tert-butyl 2-hydroxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetate (CID 67222708) is tert-butyl 2-hydroxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetate.
What is the SMILES notation for tert-butyl 2-hydroxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetate?
The canonical SMILES for tert-butyl 2-hydroxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetate is CC(C)(C)OC(=O)C(O)[C@H]1OCCN(c2cccc(N3CCOCC3=O)c2)C1=O.
What is the InChIKey of tert-butyl 2-hydroxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetate?
The InChIKey is SZPVIHXYDMGPPF-ZYMOGRSISA-N. The full InChI is InChI=1S/C20H26N2O7/c1-20(2,3)29-19(26)16(24)17-18(25)22(8-10-28-17)14-6-4-5-13(11-14)21-7-9-27-12-15(21)23/h4-6,11,16-17,24H,7-10,12H2,1-3H3/t16?,17-/m1/s1.
What are the key properties of tert-butyl 2-hydroxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetate?
tert-butyl 2-hydroxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetate has a molecular weight of 406.44 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-hydroxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetate is sourced from PubChem (CID 67222708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).