1-O-tert-butyl 5-O-methyl 3,3-dimethyl-1,3-azasilolidine-1,5-dicarboxylate

C12H23NO4Si — CID 85248502

IUPAC1-O-tert-butyl 5-O-methyl 3,3-dimethyl-1,3-azasilolidine-1,5-dicarboxylate
SMILESCOC(=O)C1C[Si](C)(C)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C12H23NO4Si/c1-12(2,3)17-11(15)13-8-18(5,6)7-9(13)10(14)16-4/h9H,7-8H2,1-6H3
InChIKeyWAAZRCXPHATHEC-UHFFFAOYSA-N
MW273.40 g/mol
LogP2.03
Rot. Bonds1

About 1-O-tert-butyl 5-O-methyl 3,3-dimethyl-1,3-azasilolidine-1,5-dicarboxylate

1-O-tert-butyl 5-O-methyl 3,3-dimethyl-1,3-azasilolidine-1,5-dicarboxylate (PubChem CID 85248502) has the molecular formula C12H23NO4Si and a molecular weight of 273.40 g/mol. Its IUPAC name is 1-O-tert-butyl 5-O-methyl 3,3-dimethyl-1,3-azasilolidine-1,5-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 5-O-methyl 3,3-dimethyl-1,3-azasilolidine-1,5-dicarboxylate
PubChem CID85248502
Molecular FormulaC12H23NO4Si
Molecular Weight273.40 g/mol
Exact Mass273.14
IUPAC Name1-O-tert-butyl 5-O-methyl 3,3-dimethyl-1,3-azasilolidine-1,5-dicarboxylate
SMILESCOC(=O)C1C[Si](C)(C)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C12H23NO4Si/c1-12(2,3)17-11(15)13-8-18(5,6)7-9(13)10(14)16-4/h9H,7-8H2,1-6H3
InChIKeyWAAZRCXPHATHEC-UHFFFAOYSA-N
XLogP2.03
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 52.03
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

1-O-tert-butyl 2-O-methyl pyrrolidine-1,2-dicarboxylate;ethane
CID 143353751
1-O-tert-butyl 2-O-methyl (2S)-azetidine-1,2-dicarboxylate
CID 14821736
tert-butyl (5S)-5-(hydroxymethyl)-3,3-dimethyl-1,3-azasilolidine-1-carboxylate
CID 124635577
1-O-tert-butyl 2-O-methyl (2S)-1,4-diazepane-1,2-dicarboxylate
CID 86325147
1-O,4-O-ditert-butyl 2-O-methyl 1,4-diazepane-1,2,4-tricarboxylate
CID 57362699
azane;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate
CID 154966146
1-O-tert-butyl 2-O-methyl (4S)-4-methoxypyrrolidine-1,2-dicarboxylate
CID 112547208
[(3S,5R)-5-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]azanium
CID 7200859
1-O-tert-butyl 2-O-methyl (2S,4S)-4-iodopyrrolidine-1,2-dicarboxylate
CID 11002744
1-O-tert-butyl 2-O-methyl (2R,4R)-4-aminopyrrolidine-1,2-dicarboxylate
CID 7128407
1-O-tert-butyl 2-O-methyl (4R)-4-fluoropyrrolidine-1,2-dicarboxylate
CID 68725739
1-O-tert-butyl 2-O-methyl (2S)-pyrrolidine-1,2-dicarboxylate;methane;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 144826606

Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 5-O-methyl 3,3-dimethyl-1,3-azasilolidine-1,5-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 5-O-methyl 3,3-dimethyl-1,3-azasilolidine-1,5-dicarboxylate (CID 85248502) is 1-O-tert-butyl 5-O-methyl 3,3-dimethyl-1,3-azasilolidine-1,5-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 5-O-methyl 3,3-dimethyl-1,3-azasilolidine-1,5-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 5-O-methyl 3,3-dimethyl-1,3-azasilolidine-1,5-dicarboxylate is COC(=O)C1C[Si](C)(C)CN1C(=O)OC(C)(C)C.
What is the InChIKey of 1-O-tert-butyl 5-O-methyl 3,3-dimethyl-1,3-azasilolidine-1,5-dicarboxylate?
The InChIKey is WAAZRCXPHATHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4Si/c1-12(2,3)17-11(15)13-8-18(5,6)7-9(13)10(14)16-4/h9H,7-8H2,1-6H3.
What are the key properties of 1-O-tert-butyl 5-O-methyl 3,3-dimethyl-1,3-azasilolidine-1,5-dicarboxylate?
1-O-tert-butyl 5-O-methyl 3,3-dimethyl-1,3-azasilolidine-1,5-dicarboxylate has a molecular weight of 273.40 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 5-O-methyl 3,3-dimethyl-1,3-azasilolidine-1,5-dicarboxylate is sourced from PubChem (CID 85248502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).