tert-butyl (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate

C26H37NO4Si — CID 67033786

IUPACtert-butyl (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H]1CO
InChIInChI=1S/C26H37NO4Si/c1-25(2,3)30-24(29)27-18-21(17-20(27)19-28)31-32(26(4,5)6,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-16,20-21,28H,17-19H2,1-6H3/t20-,21-/m1/s1
InChIKeyNFWFWDHQKIZYSJ-NHCUHLMSSA-N
MW455.67 g/mol
LogP3.93
Rot. Bonds5

About tert-butyl (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate

tert-butyl (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate (PubChem CID 67033786) has the molecular formula C26H37NO4Si and a molecular weight of 455.67 g/mol. Its IUPAC name is tert-butyl (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate
PubChem CID67033786
Molecular FormulaC26H37NO4Si
Molecular Weight455.67 g/mol
Exact Mass455.25
IUPAC Nametert-butyl (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H]1CO
InChIInChI=1S/C26H37NO4Si/c1-25(2,3)30-24(29)27-18-21(17-20(27)19-28)31-32(26(4,5)6,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-16,20-21,28H,17-19H2,1-6H3/t20-,21-/m1/s1
InChIKeyNFWFWDHQKIZYSJ-NHCUHLMSSA-N
XLogP3.93
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.67
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 91299586
CID 91299586
CID 11762195
CID 11762195
CID 11211674
CID 11211674
CID 11735069
CID 11735069
CID 11826537
CID 11826537
CID 44556602
CID 44556602
CID 69332987
CID 69332987
CID 153639200
CID 153639200
CID 164780086
CID 164780086
CID 170521985
CID 170521985
CID 172577445
CID 172577445
CID 10885179
CID 10885179

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate (CID 67033786) is tert-butyl (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H]1CO.
What is the InChIKey of tert-butyl (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate?
The InChIKey is NFWFWDHQKIZYSJ-NHCUHLMSSA-N. The full InChI is InChI=1S/C26H37NO4Si/c1-25(2,3)30-24(29)27-18-21(17-20(27)19-28)31-32(26(4,5)6,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-16,20-21,28H,17-19H2,1-6H3/t20-,21-/m1/s1.
What are the key properties of tert-butyl (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate?
tert-butyl (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate has a molecular weight of 455.67 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 67033786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).