tert-butyl (3R,4S)-2-oxo-4-thiophen-3-yl-3-triethylsilyloxyazetidine-1-carboxylate

C18H29NO4SSi — CID 54275683

IUPACtert-butyl (3R,4S)-2-oxo-4-thiophen-3-yl-3-triethylsilyloxyazetidine-1-carboxylate
SMILESCC[Si](CC)(CC)O[C@H]1C(=O)N(C(=O)OC(C)(C)C)[C@H]1c1ccsc1
InChIInChI=1S/C18H29NO4SSi/c1-7-25(8-2,9-3)23-15-14(13-10-11-24-12-13)19(16(15)20)17(21)22-18(4,5)6/h10-12,14-15H,7-9H2,1-6H3/t14-,15+/m0/s1
InChIKeyRNGFQGCVBOSBIQ-LSDHHAIUSA-N
MW383.59 g/mol
LogP4.96
Rot. Bonds6

About tert-butyl (3R,4S)-2-oxo-4-thiophen-3-yl-3-triethylsilyloxyazetidine-1-carboxylate

tert-butyl (3R,4S)-2-oxo-4-thiophen-3-yl-3-triethylsilyloxyazetidine-1-carboxylate (PubChem CID 54275683) has the molecular formula C18H29NO4SSi and a molecular weight of 383.59 g/mol. Its IUPAC name is tert-butyl (3R,4S)-2-oxo-4-thiophen-3-yl-3-triethylsilyloxyazetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R,4S)-2-oxo-4-thiophen-3-yl-3-triethylsilyloxyazetidine-1-carboxylate
PubChem CID54275683
Molecular FormulaC18H29NO4SSi
Molecular Weight383.59 g/mol
Exact Mass383.16
IUPAC Nametert-butyl (3R,4S)-2-oxo-4-thiophen-3-yl-3-triethylsilyloxyazetidine-1-carboxylate
SMILESCC[Si](CC)(CC)O[C@H]1C(=O)N(C(=O)OC(C)(C)C)[C@H]1c1ccsc1
InChIInChI=1S/C18H29NO4SSi/c1-7-25(8-2,9-3)23-15-14(13-10-11-24-12-13)19(16(15)20)17(21)22-18(4,5)6/h10-12,14-15H,7-9H2,1-6H3/t14-,15+/m0/s1
InChIKeyRNGFQGCVBOSBIQ-LSDHHAIUSA-N
XLogP4.96
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.59
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl (3R,4S)-2-oxo-4-thiophen-3-yl-3-triethylsilyloxyazetidine-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 tert-butyl (3R,4S)-2-oxo-4-thiophen-3-yl-3-triethylsilyloxyazetidine-1-carboxylate?
The IUPAC name of tert-butyl (3R,4S)-2-oxo-4-thiophen-3-yl-3-triethylsilyloxyazetidine-1-carboxylate (CID 54275683) is tert-butyl (3R,4S)-2-oxo-4-thiophen-3-yl-3-triethylsilyloxyazetidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R,4S)-2-oxo-4-thiophen-3-yl-3-triethylsilyloxyazetidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R,4S)-2-oxo-4-thiophen-3-yl-3-triethylsilyloxyazetidine-1-carboxylate is CC[Si](CC)(CC)O[C@H]1C(=O)N(C(=O)OC(C)(C)C)[C@H]1c1ccsc1.
What is the InChIKey of tert-butyl (3R,4S)-2-oxo-4-thiophen-3-yl-3-triethylsilyloxyazetidine-1-carboxylate?
The InChIKey is RNGFQGCVBOSBIQ-LSDHHAIUSA-N. The full InChI is InChI=1S/C18H29NO4SSi/c1-7-25(8-2,9-3)23-15-14(13-10-11-24-12-13)19(16(15)20)17(21)22-18(4,5)6/h10-12,14-15H,7-9H2,1-6H3/t14-,15+/m0/s1.
What are the key properties of tert-butyl (3R,4S)-2-oxo-4-thiophen-3-yl-3-triethylsilyloxyazetidine-1-carboxylate?
tert-butyl (3R,4S)-2-oxo-4-thiophen-3-yl-3-triethylsilyloxyazetidine-1-carboxylate has a molecular weight of 383.59 g/mol, XLogP of 4.96, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R,4S)-2-oxo-4-thiophen-3-yl-3-triethylsilyloxyazetidine-1-carboxylate is sourced from PubChem (CID 54275683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).