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

C16H32N4O3Si — CID 14117018

IUPACtert-butyl (2S,4R)-2-(azidomethyl)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1CN=[N+]=[N-]
InChIInChI=1S/C16H32N4O3Si/c1-15(2,3)22-14(21)20-11-13(9-12(20)10-18-19-17)23-24(7,8)16(4,5)6/h12-13H,9-11H2,1-8H3/t12-,13+/m0/s1
InChIKeyCOWIOXVRYHZUMU-QWHCGFSZSA-N
MW356.54 g/mol
LogP4.70
Rot. Bonds4

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

tert-butyl (2S,4R)-2-(azidomethyl)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1-carboxylate (PubChem CID 14117018) has the molecular formula C16H32N4O3Si and a molecular weight of 356.54 g/mol. Its IUPAC name is tert-butyl (2S,4R)-2-(azidomethyl)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,4R)-2-(azidomethyl)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1-carboxylate
PubChem CID14117018
Molecular FormulaC16H32N4O3Si
Molecular Weight356.54 g/mol
Exact Mass356.22
IUPAC Nametert-butyl (2S,4R)-2-(azidomethyl)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1CN=[N+]=[N-]
InChIInChI=1S/C16H32N4O3Si/c1-15(2,3)22-14(21)20-11-13(9-12(20)10-18-19-17)23-24(7,8)16(4,5)6/h12-13H,9-11H2,1-8H3/t12-,13+/m0/s1
InChIKeyCOWIOXVRYHZUMU-QWHCGFSZSA-N
XLogP4.70
TPSA87.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.54
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,4R)-2-(azidomethyl)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,4R)-2-(azidomethyl)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1-carboxylate (CID 14117018) is tert-butyl (2S,4R)-2-(azidomethyl)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,4R)-2-(azidomethyl)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,4R)-2-(azidomethyl)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1CN=[N+]=[N-].
What is the InChIKey of tert-butyl (2S,4R)-2-(azidomethyl)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1-carboxylate?
The InChIKey is COWIOXVRYHZUMU-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H32N4O3Si/c1-15(2,3)22-14(21)20-11-13(9-12(20)10-18-19-17)23-24(7,8)16(4,5)6/h12-13H,9-11H2,1-8H3/t12-,13+/m0/s1.
What are the key properties of tert-butyl (2S,4R)-2-(azidomethyl)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1-carboxylate?
tert-butyl (2S,4R)-2-(azidomethyl)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1-carboxylate has a molecular weight of 356.54 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,4R)-2-(azidomethyl)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1-carboxylate is sourced from PubChem (CID 14117018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).