tert-butyl 2-methyl-3-triethylsilyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate

C19H37NO3Si — CID 123641331

IUPACtert-butyl 2-methyl-3-triethylsilyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCC[Si](CC)(CC)OC1CC2CCC(C1C)N2C(=O)OC(C)(C)C
InChIInChI=1S/C19H37NO3Si/c1-8-24(9-2,10-3)23-17-13-15-11-12-16(14(17)4)20(15)18(21)22-19(5,6)7/h14-17H,8-13H2,1-7H3
InChIKeyIRIJZNUQYWGTMW-UHFFFAOYSA-N
MW355.60 g/mol
LogP5.18
Rot. Bonds5

About tert-butyl 2-methyl-3-triethylsilyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate

tert-butyl 2-methyl-3-triethylsilyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate (PubChem CID 123641331) has the molecular formula C19H37NO3Si and a molecular weight of 355.60 g/mol. Its IUPAC name is tert-butyl 2-methyl-3-triethylsilyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-methyl-3-triethylsilyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate
PubChem CID123641331
Molecular FormulaC19H37NO3Si
Molecular Weight355.60 g/mol
Exact Mass355.25
IUPAC Nametert-butyl 2-methyl-3-triethylsilyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCC[Si](CC)(CC)OC1CC2CCC(C1C)N2C(=O)OC(C)(C)C
InChIInChI=1S/C19H37NO3Si/c1-8-24(9-2,10-3)23-17-13-15-11-12-16(14(17)4)20(15)18(21)22-19(5,6)7/h14-17H,8-13H2,1-7H3
InChIKeyIRIJZNUQYWGTMW-UHFFFAOYSA-N
XLogP5.18
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.60
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-ethyl-7-azabicyclo[2.2.1]heptane-7-carboxylate
CID 90442482
tert-butyl (1S,2S,3R,5R)-2-fluoro-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 97290213
tert-butyl 2-methyl-5-azabicyclo[2.1.1]hexane-5-carboxylate
CID 166076980
tert-butyl (1S,2R,5S)-2-acetyl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 10682308
8-O-tert-butyl 2-O-ethyl (1S)-3-methylsulfonyloxy-8-azabicyclo[3.2.1]octane-2,8-dicarboxylate
CID 154627565
tert-butyl (1R,5R)-3-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 98043302
tert-butyl (1R,2R,5R)-2-amino-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 112756703
tert-butyl 2-[hydroxy(methoxy)methyl]-7-azabicyclo[2.2.1]heptane-7-carboxylate
CID 146201694
tert-butyl 2-(butylaminomethyl)-7-azabicyclo[2.2.1]heptane-7-carboxylate
CID 165493798
tert-butyl 3-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)-6-triethylsilyloxy-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
CID 171657041
tert-butyl (5R)-6-azabicyclo[3.1.1]heptane-6-carboxylate
CID 169176648
tert-butyl 3-octanoyl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171950084

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-methyl-3-triethylsilyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate?
The IUPAC name of tert-butyl 2-methyl-3-triethylsilyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate (CID 123641331) is tert-butyl 2-methyl-3-triethylsilyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate.
What is the SMILES notation for tert-butyl 2-methyl-3-triethylsilyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate?
The canonical SMILES for tert-butyl 2-methyl-3-triethylsilyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate is CC[Si](CC)(CC)OC1CC2CCC(C1C)N2C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-methyl-3-triethylsilyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate?
The InChIKey is IRIJZNUQYWGTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO3Si/c1-8-24(9-2,10-3)23-17-13-15-11-12-16(14(17)4)20(15)18(21)22-19(5,6)7/h14-17H,8-13H2,1-7H3.
What are the key properties of tert-butyl 2-methyl-3-triethylsilyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate?
tert-butyl 2-methyl-3-triethylsilyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate has a molecular weight of 355.60 g/mol, XLogP of 5.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-methyl-3-triethylsilyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate is sourced from PubChem (CID 123641331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).