prop-2-enyl (2R,4R)-2-(2-azidoethyl)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1-carboxylate

C16H30N4O3Si — CID 54502598

IUPACprop-2-enyl (2R,4R)-2-(2-azidoethyl)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1CCN=[N+]=[N-]
InChIInChI=1S/C16H30N4O3Si/c1-7-10-22-15(21)20-12-14(11-13(20)8-9-18-19-17)23-24(5,6)16(2,3)4/h7,13-14H,1,8-12H2,2-6H3/t13-,14-/m1/s1
InChIKeyYDMJHGIKOXHGNV-ZIAGYGMSSA-N
MW354.53 g/mol
LogP4.47
Rot. Bonds7

About prop-2-enyl (2R,4R)-2-(2-azidoethyl)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1-carboxylate

prop-2-enyl (2R,4R)-2-(2-azidoethyl)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1-carboxylate (PubChem CID 54502598) has the molecular formula C16H30N4O3Si and a molecular weight of 354.53 g/mol. Its IUPAC name is prop-2-enyl (2R,4R)-2-(2-azidoethyl)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl (2R,4R)-2-(2-azidoethyl)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1-carboxylate
PubChem CID54502598
Molecular FormulaC16H30N4O3Si
Molecular Weight354.53 g/mol
Exact Mass354.21
IUPAC Nameprop-2-enyl (2R,4R)-2-(2-azidoethyl)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1CCN=[N+]=[N-]
InChIInChI=1S/C16H30N4O3Si/c1-7-10-22-15(21)20-12-14(11-13(20)8-9-18-19-17)23-24(5,6)16(2,3)4/h7,13-14H,1,8-12H2,2-6H3/t13-,14-/m1/s1
InChIKeyYDMJHGIKOXHGNV-ZIAGYGMSSA-N
XLogP4.47
TPSA87.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.53
LogP ≤ 54.47
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (2R,4R)-2-(2-azidoethyl)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1-carboxylate?
The IUPAC name of prop-2-enyl (2R,4R)-2-(2-azidoethyl)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1-carboxylate (CID 54502598) is prop-2-enyl (2R,4R)-2-(2-azidoethyl)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1-carboxylate.
What is the SMILES notation for prop-2-enyl (2R,4R)-2-(2-azidoethyl)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1-carboxylate?
The canonical SMILES for prop-2-enyl (2R,4R)-2-(2-azidoethyl)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1-carboxylate is C=CCOC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1CCN=[N+]=[N-].
What is the InChIKey of prop-2-enyl (2R,4R)-2-(2-azidoethyl)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1-carboxylate?
The InChIKey is YDMJHGIKOXHGNV-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H30N4O3Si/c1-7-10-22-15(21)20-12-14(11-13(20)8-9-18-19-17)23-24(5,6)16(2,3)4/h7,13-14H,1,8-12H2,2-6H3/t13-,14-/m1/s1.
What are the key properties of prop-2-enyl (2R,4R)-2-(2-azidoethyl)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1-carboxylate?
prop-2-enyl (2R,4R)-2-(2-azidoethyl)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1-carboxylate has a molecular weight of 354.53 g/mol, XLogP of 4.47, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (2R,4R)-2-(2-azidoethyl)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1-carboxylate is sourced from PubChem (CID 54502598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).