tert-butyl N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-diazo-3-oxobutan-2-yl]carbamate

C25H33N3O4Si — CID 101153818

IUPACtert-butyl N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-diazo-3-oxobutan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)C=[N+]=[N-]
InChIInChI=1S/C25H33N3O4Si/c1-24(2,3)32-23(30)28-21(22(29)17-27-26)18-31-33(25(4,5)6,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-17,21H,18H2,1-6H3,(H,28,30)/t21-/m1/s1
InChIKeyRYESDBAGYRFZOG-OAQYLSRUSA-N
MW467.64 g/mol
LogP3.33
Rot. Bonds8

About tert-butyl N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-diazo-3-oxobutan-2-yl]carbamate

tert-butyl N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-diazo-3-oxobutan-2-yl]carbamate (PubChem CID 101153818) has the molecular formula C25H33N3O4Si and a molecular weight of 467.64 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-diazo-3-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-diazo-3-oxobutan-2-yl]carbamate
PubChem CID101153818
Molecular FormulaC25H33N3O4Si
Molecular Weight467.64 g/mol
Exact Mass467.22
IUPAC Nametert-butyl N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-diazo-3-oxobutan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)C=[N+]=[N-]
InChIInChI=1S/C25H33N3O4Si/c1-24(2,3)32-23(30)28-21(22(29)17-27-26)18-31-33(25(4,5)6,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-17,21H,18H2,1-6H3,(H,28,30)/t21-/m1/s1
InChIKeyRYESDBAGYRFZOG-OAQYLSRUSA-N
XLogP3.33
TPSA101.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.64
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-diazo-3-oxobutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-diazo-3-oxobutan-2-yl]carbamate (CID 101153818) is tert-butyl N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-diazo-3-oxobutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-diazo-3-oxobutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-diazo-3-oxobutan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)C=[N+]=[N-].
What is the InChIKey of tert-butyl N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-diazo-3-oxobutan-2-yl]carbamate?
The InChIKey is RYESDBAGYRFZOG-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H33N3O4Si/c1-24(2,3)32-23(30)28-21(22(29)17-27-26)18-31-33(25(4,5)6,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-17,21H,18H2,1-6H3,(H,28,30)/t21-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-diazo-3-oxobutan-2-yl]carbamate?
tert-butyl N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-diazo-3-oxobutan-2-yl]carbamate has a molecular weight of 467.64 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-diazo-3-oxobutan-2-yl]carbamate is sourced from PubChem (CID 101153818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).