butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenylpyrrolidine-1-carboxylate

C17H33NO3Si — CID 57291676

IUPACbutyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenylpyrrolidine-1-carboxylate
SMILESC=C[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OCCCC
InChIInChI=1S/C17H33NO3Si/c1-8-10-11-20-16(19)18-13-15(12-14(18)9-2)21-22(6,7)17(3,4)5/h9,14-15H,2,8,10-13H2,1,3-7H3/t14-,15-/m1/s1
InChIKeyRWMROMZFGKGXKW-HUUCEWRRSA-N
MW327.54 g/mol
LogP4.57
Rot. Bonds6

About butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenylpyrrolidine-1-carboxylate

butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenylpyrrolidine-1-carboxylate (PubChem CID 57291676) has the molecular formula C17H33NO3Si and a molecular weight of 327.54 g/mol. Its IUPAC name is butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebutyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenylpyrrolidine-1-carboxylate
PubChem CID57291676
Molecular FormulaC17H33NO3Si
Molecular Weight327.54 g/mol
Exact Mass327.22
IUPAC Namebutyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenylpyrrolidine-1-carboxylate
SMILESC=C[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OCCCC
InChIInChI=1S/C17H33NO3Si/c1-8-10-11-20-16(19)18-13-15(12-14(18)9-2)21-22(6,7)17(3,4)5/h9,14-15H,2,8,10-13H2,1,3-7H3/t14-,15-/m1/s1
InChIKeyRWMROMZFGKGXKW-HUUCEWRRSA-N
XLogP4.57
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.54
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenylpyrrolidine-1-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 butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenylpyrrolidine-1-carboxylate?
The IUPAC name of butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenylpyrrolidine-1-carboxylate (CID 57291676) is butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenylpyrrolidine-1-carboxylate.
What is the SMILES notation for butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenylpyrrolidine-1-carboxylate?
The canonical SMILES for butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenylpyrrolidine-1-carboxylate is C=C[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OCCCC.
What is the InChIKey of butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenylpyrrolidine-1-carboxylate?
The InChIKey is RWMROMZFGKGXKW-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H33NO3Si/c1-8-10-11-20-16(19)18-13-15(12-14(18)9-2)21-22(6,7)17(3,4)5/h9,14-15H,2,8,10-13H2,1,3-7H3/t14-,15-/m1/s1.
What are the key properties of butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenylpyrrolidine-1-carboxylate?
butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenylpyrrolidine-1-carboxylate has a molecular weight of 327.54 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenylpyrrolidine-1-carboxylate is sourced from PubChem (CID 57291676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).