tert-butyl (3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-2-oxopyrrolidine-1-carboxylate

C26H35NO5Si — CID 134920326

IUPACtert-butyl (3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-2-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)[C@@H](O)C[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H35NO5Si/c1-25(2,3)32-24(30)27-19(17-22(28)23(27)29)18-31-33(26(4,5)6,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,19,22,28H,17-18H2,1-6H3/t19-,22+/m1/s1
InChIKeyFRUPQOFRBIEQSZ-KNQAVFIVSA-N
MW469.65 g/mol
LogP3.46
Rot. Bonds5

About tert-butyl (3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-2-oxopyrrolidine-1-carboxylate

tert-butyl (3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-2-oxopyrrolidine-1-carboxylate (PubChem CID 134920326) has the molecular formula C26H35NO5Si and a molecular weight of 469.65 g/mol. Its IUPAC name is tert-butyl (3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-2-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-2-oxopyrrolidine-1-carboxylate
PubChem CID134920326
Molecular FormulaC26H35NO5Si
Molecular Weight469.65 g/mol
Exact Mass469.23
IUPAC Nametert-butyl (3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-2-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)[C@@H](O)C[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H35NO5Si/c1-25(2,3)32-24(30)27-19(17-22(28)23(27)29)18-31-33(26(4,5)6,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,19,22,28H,17-18H2,1-6H3/t19-,22+/m1/s1
InChIKeyFRUPQOFRBIEQSZ-KNQAVFIVSA-N
XLogP3.46
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.65
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(S)-tert-Butyl 2-(((tert-butyldiphenylsilyl)oxy)methyl)-5-oxopyrrolidine-1-carboxylate
CID 11762195
tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(fluoromethyl)-5-oxopyrrolidine-1-carboxylate
CID 12111284
tert-Butyl (R)-2-(((tert-butyldiphenylsilyl)oxy)methyl)-5-oxopyrrolidine-1-carboxylate
CID 11826537
(2R/S,5S)-1-(tert-Butoxycarbonyl)-5-(tert-butyldiphenylsilanyloxymethyl)-2-hydroxypyrrolidine
CID 44556602
tert-butyl (2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethenyl-5-oxopyrrolidine-1-carboxylate
CID 21681573
tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxo-3-(trideuteriomethyl)pyrrolidine-1-carboxylate
CID 11465570
tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(hydroxymethyl)-5-oxopyrrolidine-1-carboxylate
CID 12111281
tert-butyl (2S)-2-[(Z)-6-[tert-butyl(diphenyl)silyl]oxyhex-1-enyl]-5-oxopyrrolidine-1-carboxylate
CID 135013944
tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-[(R)-hydroxy(methoxy)methyl]-5-oxopyrrolidine-1-carboxylate
CID 139190077
tert-butyl (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 10742413
methyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate
CID 15483164
tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-5-oxopyrrolidine-1-carboxylate
CID 10950738

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-2-oxopyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-2-oxopyrrolidine-1-carboxylate (CID 134920326) is tert-butyl (3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-2-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-2-oxopyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-2-oxopyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C(=O)[C@@H](O)C[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl (3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-2-oxopyrrolidine-1-carboxylate?
The InChIKey is FRUPQOFRBIEQSZ-KNQAVFIVSA-N. The full InChI is InChI=1S/C26H35NO5Si/c1-25(2,3)32-24(30)27-19(17-22(28)23(27)29)18-31-33(26(4,5)6,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,19,22,28H,17-18H2,1-6H3/t19-,22+/m1/s1.
What are the key properties of tert-butyl (3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-2-oxopyrrolidine-1-carboxylate?
tert-butyl (3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-2-oxopyrrolidine-1-carboxylate has a molecular weight of 469.65 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-2-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 134920326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).