tert-butyl (2S,3S)-3-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate

C23H37NO4Si — CID 58051377

IUPACtert-butyl (2S,3S)-3-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)C[C@H](Cc2ccccc2)[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H37NO4Si/c1-22(2,3)28-21(26)24-19(16-27-29(7,8)23(4,5)6)18(15-20(24)25)14-17-12-10-9-11-13-17/h9-13,18-19H,14-16H2,1-8H3/t18-,19+/m0/s1
InChIKeyNXLSUKWIHJOGOR-RBUKOAKNSA-N
MW419.64 g/mol
LogP5.40
Rot. Bonds5

About tert-butyl (2S,3S)-3-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate

tert-butyl (2S,3S)-3-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate (PubChem CID 58051377) has the molecular formula C23H37NO4Si and a molecular weight of 419.64 g/mol. Its IUPAC name is tert-butyl (2S,3S)-3-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,3S)-3-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate
PubChem CID58051377
Molecular FormulaC23H37NO4Si
Molecular Weight419.64 g/mol
Exact Mass419.25
IUPAC Nametert-butyl (2S,3S)-3-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)C[C@H](Cc2ccccc2)[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H37NO4Si/c1-22(2,3)28-21(26)24-19(16-27-29(7,8)23(4,5)6)18(15-20(24)25)14-17-12-10-9-11-13-17/h9-13,18-19H,14-16H2,1-8H3/t18-,19+/m0/s1
InChIKeyNXLSUKWIHJOGOR-RBUKOAKNSA-N
XLogP5.40
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.64
LogP ≤ 55.40
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-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,3S)-3-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate (CID 58051377) is tert-butyl (2S,3S)-3-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,3S)-3-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,3S)-3-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C(=O)C[C@H](Cc2ccccc2)[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl (2S,3S)-3-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate?
The InChIKey is NXLSUKWIHJOGOR-RBUKOAKNSA-N. The full InChI is InChI=1S/C23H37NO4Si/c1-22(2,3)28-21(26)24-19(16-27-29(7,8)23(4,5)6)18(15-20(24)25)14-17-12-10-9-11-13-17/h9-13,18-19H,14-16H2,1-8H3/t18-,19+/m0/s1.
What are the key properties of tert-butyl (2S,3S)-3-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate?
tert-butyl (2S,3S)-3-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate has a molecular weight of 419.64 g/mol, XLogP of 5.40, 5 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-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 58051377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).