tert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxoazetidine-1-carboxylate

C25H33NO4Si — CID 10906301

IUPACtert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxoazetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(=O)[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H33NO4Si/c1-24(2,3)30-23(28)26-17-22(27)21(26)18-29-31(25(4,5)6,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,21H,17-18H2,1-6H3/t21-/m1/s1
InChIKeyRKEPYTIALHSMPP-OAQYLSRUSA-N
MW439.63 g/mol
LogP3.75
Rot. Bonds5

About tert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxoazetidine-1-carboxylate

tert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxoazetidine-1-carboxylate (PubChem CID 10906301) has the molecular formula C25H33NO4Si and a molecular weight of 439.63 g/mol. Its IUPAC name is tert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxoazetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxoazetidine-1-carboxylate
PubChem CID10906301
Molecular FormulaC25H33NO4Si
Molecular Weight439.63 g/mol
Exact Mass439.22
IUPAC Nametert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxoazetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(=O)[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H33NO4Si/c1-24(2,3)30-23(28)26-17-22(27)21(26)18-29-31(25(4,5)6,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,21H,17-18H2,1-6H3/t21-/m1/s1
InChIKeyRKEPYTIALHSMPP-OAQYLSRUSA-N
XLogP3.75
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.63
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-[methyl-(2,2,2-trifluoroacetyl)amino]butyl]-N-propan-2-ylcarbamate
CID 58006837
tert-butyl (3S,4S)-3-[tert-butyl(diphenyl)silyl]oxy-2-oxo-4-[tri(propan-2-yl)silyloxymethyl]azetidine-1-carboxylate
CID 10930128
tert-butyl N-[4-[tert-butyl(diphenyl)silyl]oxy-2-oxobutyl]carbamate
CID 44134232
tert-Butyl 3-{[tert-butyl(diphenyl)silyl]oxy}azetidine-1-carboxylate
CID 58072157
1,1-dimethylethyl (2S)-2-({[(1,1-dimethylethyl)(diphenyl)silyl]oxy}methyl)-3,6-dihydro-1(2H)-pyridinecarboxylate
CID 59363640
tert-butyl N-butan-2-yl-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]carbamate
CID 68337402
tert-butyl N-butanoyl-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]carbamate
CID 70863180
tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 72270943
Tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxoazetidine-1-carboxylate
CID 85310435
Butyl 3-{[tert-butyl(diphenyl)silyl]oxy}azetidine-1-carboxylate
CID 86689032
tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4,5-trideuterio-3,6-dihydro-2H-pyridine-1-carboxylate
CID 87519484
Boc-D-N(Me)Nva(OTBDPS)(OTBDPS)-OH
CID 90141054

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxoazetidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxoazetidine-1-carboxylate (CID 10906301) is tert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxoazetidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxoazetidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxoazetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(=O)[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxoazetidine-1-carboxylate?
The InChIKey is RKEPYTIALHSMPP-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H33NO4Si/c1-24(2,3)30-23(28)26-17-22(27)21(26)18-29-31(25(4,5)6,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,21H,17-18H2,1-6H3/t21-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxoazetidine-1-carboxylate?
tert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxoazetidine-1-carboxylate has a molecular weight of 439.63 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxoazetidine-1-carboxylate is sourced from PubChem (CID 10906301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).