trimethylsilyl (2S,4R)-4-trimethylsilyloxypyrrolidine-2-carboxylate

C11H25NO3Si2 — CID 86659214

IUPACtrimethylsilyl (2S,4R)-4-trimethylsilyloxypyrrolidine-2-carboxylate
SMILESC[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O[Si](C)(C)C)CN1
InChIInChI=1S/C11H25NO3Si2/c1-16(2,3)14-9-7-10(12-8-9)11(13)15-17(4,5)6/h9-10,12H,7-8H2,1-6H3/t9-,10+/m1/s1
InChIKeyMUTWTMHZNNEXDN-ZJUUUORDSA-N
MW275.50 g/mol
LogP1.95
Rot. Bonds4

About trimethylsilyl (2S,4R)-4-trimethylsilyloxypyrrolidine-2-carboxylate

trimethylsilyl (2S,4R)-4-trimethylsilyloxypyrrolidine-2-carboxylate (PubChem CID 86659214) has the molecular formula C11H25NO3Si2 and a molecular weight of 275.50 g/mol. Its IUPAC name is trimethylsilyl (2S,4R)-4-trimethylsilyloxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Nametrimethylsilyl (2S,4R)-4-trimethylsilyloxypyrrolidine-2-carboxylate
PubChem CID86659214
Molecular FormulaC11H25NO3Si2
Molecular Weight275.50 g/mol
Exact Mass275.14
IUPAC Nametrimethylsilyl (2S,4R)-4-trimethylsilyloxypyrrolidine-2-carboxylate
SMILESC[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O[Si](C)(C)C)CN1
InChIInChI=1S/C11H25NO3Si2/c1-16(2,3)14-9-7-10(12-8-9)11(13)15-17(4,5)6/h9-10,12H,7-8H2,1-6H3/t9-,10+/m1/s1
InChIKeyMUTWTMHZNNEXDN-ZJUUUORDSA-N
XLogP1.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.50
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze trimethylsilyl (2S,4R)-4-trimethylsilyloxypyrrolidine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl (2S,4R)-4-trimethylsilyloxypyrrolidine-2-carboxylate?
The IUPAC name of trimethylsilyl (2S,4R)-4-trimethylsilyloxypyrrolidine-2-carboxylate (CID 86659214) is trimethylsilyl (2S,4R)-4-trimethylsilyloxypyrrolidine-2-carboxylate.
What is the SMILES notation for trimethylsilyl (2S,4R)-4-trimethylsilyloxypyrrolidine-2-carboxylate?
The canonical SMILES for trimethylsilyl (2S,4R)-4-trimethylsilyloxypyrrolidine-2-carboxylate is C[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O[Si](C)(C)C)CN1.
What is the InChIKey of trimethylsilyl (2S,4R)-4-trimethylsilyloxypyrrolidine-2-carboxylate?
The InChIKey is MUTWTMHZNNEXDN-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H25NO3Si2/c1-16(2,3)14-9-7-10(12-8-9)11(13)15-17(4,5)6/h9-10,12H,7-8H2,1-6H3/t9-,10+/m1/s1.
What are the key properties of trimethylsilyl (2S,4R)-4-trimethylsilyloxypyrrolidine-2-carboxylate?
trimethylsilyl (2S,4R)-4-trimethylsilyloxypyrrolidine-2-carboxylate has a molecular weight of 275.50 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl (2S,4R)-4-trimethylsilyloxypyrrolidine-2-carboxylate is sourced from PubChem (CID 86659214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).