tert-butyl (5S)-5-(hydroxymethyl)-3,3-dimethyl-1,3-azasilolidine-1-carboxylate

C11H23NO3Si — CID 124635577

IUPACtert-butyl (5S)-5-(hydroxymethyl)-3,3-dimethyl-1,3-azasilolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[Si](C)(C)C[C@@H]1CO
InChIInChI=1S/C11H23NO3Si/c1-11(2,3)15-10(14)12-8-16(4,5)7-9(12)6-13/h9,13H,6-8H2,1-5H3/t9-/m0/s1
InChIKeyQPSQTMVGFMODPI-VIFPVBQESA-N
MW245.39 g/mol
LogP1.85
Rot. Bonds1

About tert-butyl (5S)-5-(hydroxymethyl)-3,3-dimethyl-1,3-azasilolidine-1-carboxylate

tert-butyl (5S)-5-(hydroxymethyl)-3,3-dimethyl-1,3-azasilolidine-1-carboxylate (PubChem CID 124635577) has the molecular formula C11H23NO3Si and a molecular weight of 245.39 g/mol. Its IUPAC name is tert-butyl (5S)-5-(hydroxymethyl)-3,3-dimethyl-1,3-azasilolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (5S)-5-(hydroxymethyl)-3,3-dimethyl-1,3-azasilolidine-1-carboxylate
PubChem CID124635577
Molecular FormulaC11H23NO3Si
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC Nametert-butyl (5S)-5-(hydroxymethyl)-3,3-dimethyl-1,3-azasilolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[Si](C)(C)C[C@@H]1CO
InChIInChI=1S/C11H23NO3Si/c1-11(2,3)15-10(14)12-8-16(4,5)7-9(12)6-13/h9,13H,6-8H2,1-5H3/t9-/m0/s1
InChIKeyQPSQTMVGFMODPI-VIFPVBQESA-N
XLogP1.85
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-O-tert-butyl 5-O-methyl 3,3-dimethyl-1,3-azasilolidine-1,5-dicarboxylate
CID 85248502
tert-butyl (2R)-2-(hydroxymethyl)azetidine-1-carboxylate
CID 11074142
tert-butyl (2S,4R)-2-(hydroxymethyl)-4-(trifluoromethyl)pyrrolidine-1-carboxylate
CID 11425669
tert-butyl (2R,4R)-2-(hydroxymethyl)-4-(trifluoromethyl)pyrrolidine-1-carboxylate
CID 11129340
tert-butyl (2S)-2-(hydroxymethyl)azocane-1-carboxylate
CID 130839341
tert-butyl (2R)-2-(hydroxymethyl)-4-methylpyrrolidine-1-carboxylate
CID 130614753
ditert-butyl (2R,5S)-2-(hydroxymethyl)-5-methylpiperazine-1,4-dicarboxylate
CID 162711929
tert-butyl (2R)-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 54350495
tert-butyl (2R)-2-(hydroxymethyl)-4-oxopyrrolidine-1-carboxylate
CID 22848098
tert-butyl (2S,4S)-2-(hydroxymethyl)-4-sulfanylpyrrolidine-1-carboxylate
CID 51358557
tert-butyl (2S,3R)-3-hydroxy-2-(hydroxymethyl)piperidine-1-carboxylate
CID 11276298
tert-butyl 2-(hydroxymethyl)-4-trimethylsilyloxypyrrolidine-1-carboxylate
CID 139708119

Frequently Asked Questions

What is the IUPAC name of tert-butyl (5S)-5-(hydroxymethyl)-3,3-dimethyl-1,3-azasilolidine-1-carboxylate?
The IUPAC name of tert-butyl (5S)-5-(hydroxymethyl)-3,3-dimethyl-1,3-azasilolidine-1-carboxylate (CID 124635577) is tert-butyl (5S)-5-(hydroxymethyl)-3,3-dimethyl-1,3-azasilolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (5S)-5-(hydroxymethyl)-3,3-dimethyl-1,3-azasilolidine-1-carboxylate?
The canonical SMILES for tert-butyl (5S)-5-(hydroxymethyl)-3,3-dimethyl-1,3-azasilolidine-1-carboxylate is CC(C)(C)OC(=O)N1C[Si](C)(C)C[C@@H]1CO.
What is the InChIKey of tert-butyl (5S)-5-(hydroxymethyl)-3,3-dimethyl-1,3-azasilolidine-1-carboxylate?
The InChIKey is QPSQTMVGFMODPI-VIFPVBQESA-N. The full InChI is InChI=1S/C11H23NO3Si/c1-11(2,3)15-10(14)12-8-16(4,5)7-9(12)6-13/h9,13H,6-8H2,1-5H3/t9-/m0/s1.
What are the key properties of tert-butyl (5S)-5-(hydroxymethyl)-3,3-dimethyl-1,3-azasilolidine-1-carboxylate?
tert-butyl (5S)-5-(hydroxymethyl)-3,3-dimethyl-1,3-azasilolidine-1-carboxylate has a molecular weight of 245.39 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (5S)-5-(hydroxymethyl)-3,3-dimethyl-1,3-azasilolidine-1-carboxylate is sourced from PubChem (CID 124635577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).