tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[1-[2-(oxan-2-yloxy)ethyl]-2-oxopiperidin-4-yl]pyrrolidine-1-carboxylate

C27H50N2O6Si — CID 10792238

IUPACtert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[1-[2-(oxan-2-yloxy)ethyl]-2-oxopiperidin-4-yl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C1CCN(CCOC2CCCCO2)C(=O)C1
InChIInChI=1S/C27H50N2O6Si/c1-26(2,3)34-25(31)29-19-21(35-36(7,8)27(4,5)6)18-22(29)20-12-13-28(23(30)17-20)14-16-33-24-11-9-10-15-32-24/h20-22,24H,9-19H2,1-8H3/t20?,21-,22+,24?/m1/s1
InChIKeyPIIBOYOBDBVKBC-NLMCKWEYSA-N
MW526.79 g/mol
LogP5.17
Rot. Bonds7

About tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[1-[2-(oxan-2-yloxy)ethyl]-2-oxopiperidin-4-yl]pyrrolidine-1-carboxylate

tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[1-[2-(oxan-2-yloxy)ethyl]-2-oxopiperidin-4-yl]pyrrolidine-1-carboxylate (PubChem CID 10792238) has the molecular formula C27H50N2O6Si and a molecular weight of 526.79 g/mol. Its IUPAC name is tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[1-[2-(oxan-2-yloxy)ethyl]-2-oxopiperidin-4-yl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[1-[2-(oxan-2-yloxy)ethyl]-2-oxopiperidin-4-yl]pyrrolidine-1-carboxylate
PubChem CID10792238
Molecular FormulaC27H50N2O6Si
Molecular Weight526.79 g/mol
Exact Mass526.34
IUPAC Nametert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[1-[2-(oxan-2-yloxy)ethyl]-2-oxopiperidin-4-yl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C1CCN(CCOC2CCCCO2)C(=O)C1
InChIInChI=1S/C27H50N2O6Si/c1-26(2,3)34-25(31)29-19-21(35-36(7,8)27(4,5)6)18-22(29)20-12-13-28(23(30)17-20)14-16-33-24-11-9-10-15-32-24/h20-22,24H,9-19H2,1-8H3/t20?,21-,22+,24?/m1/s1
InChIKeyPIIBOYOBDBVKBC-NLMCKWEYSA-N
XLogP5.17
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.79
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[1-[2-(oxan-2-yloxy)ethyl]-2-oxopiperidin-4-yl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[1-[2-(oxan-2-yloxy)ethyl]-2-oxopiperidin-4-yl]pyrrolidine-1-carboxylate (CID 10792238) is tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[1-[2-(oxan-2-yloxy)ethyl]-2-oxopiperidin-4-yl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[1-[2-(oxan-2-yloxy)ethyl]-2-oxopiperidin-4-yl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[1-[2-(oxan-2-yloxy)ethyl]-2-oxopiperidin-4-yl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C1CCN(CCOC2CCCCO2)C(=O)C1.
What is the InChIKey of tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[1-[2-(oxan-2-yloxy)ethyl]-2-oxopiperidin-4-yl]pyrrolidine-1-carboxylate?
The InChIKey is PIIBOYOBDBVKBC-NLMCKWEYSA-N. The full InChI is InChI=1S/C27H50N2O6Si/c1-26(2,3)34-25(31)29-19-21(35-36(7,8)27(4,5)6)18-22(29)20-12-13-28(23(30)17-20)14-16-33-24-11-9-10-15-32-24/h20-22,24H,9-19H2,1-8H3/t20?,21-,22+,24?/m1/s1.
What are the key properties of tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[1-[2-(oxan-2-yloxy)ethyl]-2-oxopiperidin-4-yl]pyrrolidine-1-carboxylate?
tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[1-[2-(oxan-2-yloxy)ethyl]-2-oxopiperidin-4-yl]pyrrolidine-1-carboxylate has a molecular weight of 526.79 g/mol, XLogP of 5.17, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[1-[2-(oxan-2-yloxy)ethyl]-2-oxopiperidin-4-yl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 10792238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).