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

C26H36N2O4Si — CID 153486042

IUPACtert-butyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-carbamoylpyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@H]1C(N)=O
InChIInChI=1S/C26H36N2O4Si/c1-25(2,3)31-24(30)28-18-19(17-22(28)23(27)29)32-33(26(4,5)6,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,19,22H,17-18H2,1-6H3,(H2,27,29)/t19-,22+/m1/s1
InChIKeyYRYFNOGYIGXKLC-KNQAVFIVSA-N
MW468.67 g/mol
LogP3.43
Rot. Bonds5

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

tert-butyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-carbamoylpyrrolidine-1-carboxylate (PubChem CID 153486042) has the molecular formula C26H36N2O4Si and a molecular weight of 468.67 g/mol. Its IUPAC name is tert-butyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-carbamoylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-carbamoylpyrrolidine-1-carboxylate
PubChem CID153486042
Molecular FormulaC26H36N2O4Si
Molecular Weight468.67 g/mol
Exact Mass468.24
IUPAC Nametert-butyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-carbamoylpyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@H]1C(N)=O
InChIInChI=1S/C26H36N2O4Si/c1-25(2,3)31-24(30)28-18-19(17-22(28)23(27)29)32-33(26(4,5)6,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,19,22H,17-18H2,1-6H3,(H2,27,29)/t19-,22+/m1/s1
InChIKeyYRYFNOGYIGXKLC-KNQAVFIVSA-N
XLogP3.43
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.67
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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(diphenyl)silyl]oxy-2-carbamoylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-carbamoylpyrrolidine-1-carboxylate (CID 153486042) is tert-butyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-carbamoylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-carbamoylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-carbamoylpyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@H]1C(N)=O.
What is the InChIKey of tert-butyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-carbamoylpyrrolidine-1-carboxylate?
The InChIKey is YRYFNOGYIGXKLC-KNQAVFIVSA-N. The full InChI is InChI=1S/C26H36N2O4Si/c1-25(2,3)31-24(30)28-18-19(17-22(28)23(27)29)32-33(26(4,5)6,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,19,22H,17-18H2,1-6H3,(H2,27,29)/t19-,22+/m1/s1.
What are the key properties of tert-butyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-carbamoylpyrrolidine-1-carboxylate?
tert-butyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-carbamoylpyrrolidine-1-carboxylate has a molecular weight of 468.67 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-carbamoylpyrrolidine-1-carboxylate is sourced from PubChem (CID 153486042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).