tert-butyl (2S,3S)-3-butyl-2-tert-butyl-4-(diphenylsilyloxymethyl)-5-oxopyrrolidine-1-carboxylate

C30H43NO4Si — CID 173311670

IUPACtert-butyl (2S,3S)-3-butyl-2-tert-butyl-4-(diphenylsilyloxymethyl)-5-oxopyrrolidine-1-carboxylate
SMILESCCCC[C@H]1C(CO[SiH](c2ccccc2)c2ccccc2)C(=O)N(C(=O)OC(C)(C)C)[C@@H]1C(C)(C)C
InChIInChI=1S/C30H43NO4Si/c1-8-9-20-24-25(27(32)31(26(24)29(2,3)4)28(33)35-30(5,6)7)21-34-36(22-16-12-10-13-17-22)23-18-14-11-15-19-23/h10-19,24-26,36H,8-9,20-21H2,1-7H3/t24-,25?,26-/m0/s1
InChIKeyHQJMAMWVILXLRW-ZURQMKNRSA-N
MW509.76 g/mol
LogP5.16
Rot. Bonds8

About tert-butyl (2S,3S)-3-butyl-2-tert-butyl-4-(diphenylsilyloxymethyl)-5-oxopyrrolidine-1-carboxylate

tert-butyl (2S,3S)-3-butyl-2-tert-butyl-4-(diphenylsilyloxymethyl)-5-oxopyrrolidine-1-carboxylate (PubChem CID 173311670) has the molecular formula C30H43NO4Si and a molecular weight of 509.76 g/mol. Its IUPAC name is tert-butyl (2S,3S)-3-butyl-2-tert-butyl-4-(diphenylsilyloxymethyl)-5-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,3S)-3-butyl-2-tert-butyl-4-(diphenylsilyloxymethyl)-5-oxopyrrolidine-1-carboxylate
PubChem CID173311670
Molecular FormulaC30H43NO4Si
Molecular Weight509.76 g/mol
Exact Mass509.30
IUPAC Nametert-butyl (2S,3S)-3-butyl-2-tert-butyl-4-(diphenylsilyloxymethyl)-5-oxopyrrolidine-1-carboxylate
SMILESCCCC[C@H]1C(CO[SiH](c2ccccc2)c2ccccc2)C(=O)N(C(=O)OC(C)(C)C)[C@@H]1C(C)(C)C
InChIInChI=1S/C30H43NO4Si/c1-8-9-20-24-25(27(32)31(26(24)29(2,3)4)28(33)35-30(5,6)7)21-34-36(22-16-12-10-13-17-22)23-18-14-11-15-19-23/h10-19,24-26,36H,8-9,20-21H2,1-7H3/t24-,25?,26-/m0/s1
InChIKeyHQJMAMWVILXLRW-ZURQMKNRSA-N
XLogP5.16
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.76
LogP ≤ 55.16
H-Bond Donors ≤ 50
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,3S)-3-butyl-2-tert-butyl-4-(diphenylsilyloxymethyl)-5-oxopyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,3S)-3-butyl-2-tert-butyl-4-(diphenylsilyloxymethyl)-5-oxopyrrolidine-1-carboxylate (CID 173311670) is tert-butyl (2S,3S)-3-butyl-2-tert-butyl-4-(diphenylsilyloxymethyl)-5-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,3S)-3-butyl-2-tert-butyl-4-(diphenylsilyloxymethyl)-5-oxopyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,3S)-3-butyl-2-tert-butyl-4-(diphenylsilyloxymethyl)-5-oxopyrrolidine-1-carboxylate is CCCC[C@H]1C(CO[SiH](c2ccccc2)c2ccccc2)C(=O)N(C(=O)OC(C)(C)C)[C@@H]1C(C)(C)C.
What is the InChIKey of tert-butyl (2S,3S)-3-butyl-2-tert-butyl-4-(diphenylsilyloxymethyl)-5-oxopyrrolidine-1-carboxylate?
The InChIKey is HQJMAMWVILXLRW-ZURQMKNRSA-N. The full InChI is InChI=1S/C30H43NO4Si/c1-8-9-20-24-25(27(32)31(26(24)29(2,3)4)28(33)35-30(5,6)7)21-34-36(22-16-12-10-13-17-22)23-18-14-11-15-19-23/h10-19,24-26,36H,8-9,20-21H2,1-7H3/t24-,25?,26-/m0/s1.
What are the key properties of tert-butyl (2S,3S)-3-butyl-2-tert-butyl-4-(diphenylsilyloxymethyl)-5-oxopyrrolidine-1-carboxylate?
tert-butyl (2S,3S)-3-butyl-2-tert-butyl-4-(diphenylsilyloxymethyl)-5-oxopyrrolidine-1-carboxylate has a molecular weight of 509.76 g/mol, XLogP of 5.16, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,3S)-3-butyl-2-tert-butyl-4-(diphenylsilyloxymethyl)-5-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 173311670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).