tert-butyl (2S,3R)-1-[tert-butyl(dimethyl)silyl]-3-ethenyl-4-oxoazetidine-2-carboxylate

C16H29NO3Si — CID 12972862

IUPACtert-butyl (2S,3R)-1-[tert-butyl(dimethyl)silyl]-3-ethenyl-4-oxoazetidine-2-carboxylate
SMILESC=C[C@H]1C(=O)N([Si](C)(C)C(C)(C)C)[C@@H]1C(=O)OC(C)(C)C
InChIInChI=1S/C16H29NO3Si/c1-10-11-12(14(19)20-15(2,3)4)17(13(11)18)21(8,9)16(5,6)7/h10-12H,1H2,2-9H3/t11-,12+/m1/s1
InChIKeyAAZNHZUMTZQNQQ-NEPJUHHUSA-N
MW311.50 g/mol
LogP3.35
Rot. Bonds3

About tert-butyl (2S,3R)-1-[tert-butyl(dimethyl)silyl]-3-ethenyl-4-oxoazetidine-2-carboxylate

tert-butyl (2S,3R)-1-[tert-butyl(dimethyl)silyl]-3-ethenyl-4-oxoazetidine-2-carboxylate (PubChem CID 12972862) has the molecular formula C16H29NO3Si and a molecular weight of 311.50 g/mol. Its IUPAC name is tert-butyl (2S,3R)-1-[tert-butyl(dimethyl)silyl]-3-ethenyl-4-oxoazetidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,3R)-1-[tert-butyl(dimethyl)silyl]-3-ethenyl-4-oxoazetidine-2-carboxylate
PubChem CID12972862
Molecular FormulaC16H29NO3Si
Molecular Weight311.50 g/mol
Exact Mass311.19
IUPAC Nametert-butyl (2S,3R)-1-[tert-butyl(dimethyl)silyl]-3-ethenyl-4-oxoazetidine-2-carboxylate
SMILESC=C[C@H]1C(=O)N([Si](C)(C)C(C)(C)C)[C@@H]1C(=O)OC(C)(C)C
InChIInChI=1S/C16H29NO3Si/c1-10-11-12(14(19)20-15(2,3)4)17(13(11)18)21(8,9)16(5,6)7/h10-12H,1H2,2-9H3/t11-,12+/m1/s1
InChIKeyAAZNHZUMTZQNQQ-NEPJUHHUSA-N
XLogP3.35
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.50
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,3R)-1-[tert-butyl(dimethyl)silyl]-3-ethenyl-4-oxoazetidine-2-carboxylate?
The IUPAC name of tert-butyl (2S,3R)-1-[tert-butyl(dimethyl)silyl]-3-ethenyl-4-oxoazetidine-2-carboxylate (CID 12972862) is tert-butyl (2S,3R)-1-[tert-butyl(dimethyl)silyl]-3-ethenyl-4-oxoazetidine-2-carboxylate.
What is the SMILES notation for tert-butyl (2S,3R)-1-[tert-butyl(dimethyl)silyl]-3-ethenyl-4-oxoazetidine-2-carboxylate?
The canonical SMILES for tert-butyl (2S,3R)-1-[tert-butyl(dimethyl)silyl]-3-ethenyl-4-oxoazetidine-2-carboxylate is C=C[C@H]1C(=O)N([Si](C)(C)C(C)(C)C)[C@@H]1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S,3R)-1-[tert-butyl(dimethyl)silyl]-3-ethenyl-4-oxoazetidine-2-carboxylate?
The InChIKey is AAZNHZUMTZQNQQ-NEPJUHHUSA-N. The full InChI is InChI=1S/C16H29NO3Si/c1-10-11-12(14(19)20-15(2,3)4)17(13(11)18)21(8,9)16(5,6)7/h10-12H,1H2,2-9H3/t11-,12+/m1/s1.
What are the key properties of tert-butyl (2S,3R)-1-[tert-butyl(dimethyl)silyl]-3-ethenyl-4-oxoazetidine-2-carboxylate?
tert-butyl (2S,3R)-1-[tert-butyl(dimethyl)silyl]-3-ethenyl-4-oxoazetidine-2-carboxylate has a molecular weight of 311.50 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,3R)-1-[tert-butyl(dimethyl)silyl]-3-ethenyl-4-oxoazetidine-2-carboxylate is sourced from PubChem (CID 12972862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).