ethyl (2S,4R)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylate

C20H33NO3Si — CID 23248578

IUPACethyl (2S,4R)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylate
SMILESCCOC(=O)[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CN1Cc1ccccc1
InChIInChI=1S/C20H33NO3Si/c1-7-23-19(22)18-13-17(24-25(5,6)20(2,3)4)15-21(18)14-16-11-9-8-10-12-16/h8-12,17-18H,7,13-15H2,1-6H3/t17-,18+/m1/s1
InChIKeyOIUQTTWVSICFED-MSOLQXFVSA-N
MW363.57 g/mol
LogP4.21
Rot. Bonds6

About ethyl (2S,4R)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylate

ethyl (2S,4R)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylate (PubChem CID 23248578) has the molecular formula C20H33NO3Si and a molecular weight of 363.57 g/mol. Its IUPAC name is ethyl (2S,4R)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2S,4R)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylate
PubChem CID23248578
Molecular FormulaC20H33NO3Si
Molecular Weight363.57 g/mol
Exact Mass363.22
IUPAC Nameethyl (2S,4R)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylate
SMILESCCOC(=O)[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CN1Cc1ccccc1
InChIInChI=1S/C20H33NO3Si/c1-7-23-19(22)18-13-17(24-25(5,6)20(2,3)4)15-21(18)14-16-11-9-8-10-12-16/h8-12,17-18H,7,13-15H2,1-6H3/t17-,18+/m1/s1
InChIKeyOIUQTTWVSICFED-MSOLQXFVSA-N
XLogP4.21
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.57
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl (2S,4R)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-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 ethyl (2S,4R)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylate?
The IUPAC name of ethyl (2S,4R)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylate (CID 23248578) is ethyl (2S,4R)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl (2S,4R)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylate?
The canonical SMILES for ethyl (2S,4R)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylate is CCOC(=O)[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CN1Cc1ccccc1.
What is the InChIKey of ethyl (2S,4R)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylate?
The InChIKey is OIUQTTWVSICFED-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H33NO3Si/c1-7-23-19(22)18-13-17(24-25(5,6)20(2,3)4)15-21(18)14-16-11-9-8-10-12-16/h8-12,17-18H,7,13-15H2,1-6H3/t17-,18+/m1/s1.
What are the key properties of ethyl (2S,4R)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylate?
ethyl (2S,4R)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylate has a molecular weight of 363.57 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S,4R)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylate is sourced from PubChem (CID 23248578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).