tert-butyl (2R,3R,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-bis(methoxymethoxy)-5-oxopyrrolidine-1-carboxylate

C30H43NO8Si — CID 11017255

IUPACtert-butyl (2R,3R,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-bis(methoxymethoxy)-5-oxopyrrolidine-1-carboxylate
SMILESCOCO[C@H]1[C@H](OCOC)C(=O)N(C(=O)OC(C)(C)C)[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C30H43NO8Si/c1-29(2,3)39-28(33)31-24(25(36-20-34-7)26(27(31)32)37-21-35-8)19-38-40(30(4,5)6,22-15-11-9-12-16-22)23-17-13-10-14-18-23/h9-18,24-26H,19-21H2,1-8H3/t24-,25-,26+/m1/s1
InChIKeyROPAARLJXNNLDC-CYXNTTPDSA-N
MW573.76 g/mol
LogP3.69
Rot. Bonds11

About tert-butyl (2R,3R,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-bis(methoxymethoxy)-5-oxopyrrolidine-1-carboxylate

tert-butyl (2R,3R,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-bis(methoxymethoxy)-5-oxopyrrolidine-1-carboxylate (PubChem CID 11017255) has the molecular formula C30H43NO8Si and a molecular weight of 573.76 g/mol. Its IUPAC name is tert-butyl (2R,3R,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-bis(methoxymethoxy)-5-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,3R,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-bis(methoxymethoxy)-5-oxopyrrolidine-1-carboxylate
PubChem CID11017255
Molecular FormulaC30H43NO8Si
Molecular Weight573.76 g/mol
Exact Mass573.28
IUPAC Nametert-butyl (2R,3R,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-bis(methoxymethoxy)-5-oxopyrrolidine-1-carboxylate
SMILESCOCO[C@H]1[C@H](OCOC)C(=O)N(C(=O)OC(C)(C)C)[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C30H43NO8Si/c1-29(2,3)39-28(33)31-24(25(36-20-34-7)26(27(31)32)37-21-35-8)19-38-40(30(4,5)6,22-15-11-9-12-16-22)23-17-13-10-14-18-23/h9-18,24-26H,19-21H2,1-8H3/t24-,25-,26+/m1/s1
InChIKeyROPAARLJXNNLDC-CYXNTTPDSA-N
XLogP3.69
TPSA92.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500573.76
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze tert-butyl (2R,3R,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-bis(methoxymethoxy)-5-oxopyrrolidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(S)-tert-Butyl 2-(((tert-butyldiphenylsilyl)oxy)methyl)-5-oxopyrrolidine-1-carboxylate
CID 11762195
tert-Butyl (R)-2-(((tert-butyldiphenylsilyl)oxy)methyl)-5-oxopyrrolidine-1-carboxylate
CID 11826537
tert-butyl (3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-2-oxopyrrolidine-1-carboxylate
CID 134920326
tert-Butoxycarbonyl-5-(tert-butyldiphenylsilanyloxymethyl)pyrrolidin-2-one
CID 57055651
(2S,3R)-3-(tert-butyldiphenylsilanoxy)pyrrolidine-1,2-dicarboxylic Acid 1-tert-butyl Ester 2-methyl Ester
CID 57974634
1-O-tert-butyl 2-O-methyl 3-[tert-butyl(diphenyl)silyl]oxypyrrolidine-1,2-dicarboxylate
CID 69648985
1-O-tert-butyl 2-O-methyl (2R,3R)-3-[tert-butyl(diphenyl)silyl]oxypyrrolidine-1,2-dicarboxylate
CID 69648987
1-tert-butyl 2-methyl (2S,3S)-3-{[tert-butyl(diphenyl)silyl]oxy}pyrrolidine-1,2-dicarboxylate
CID 86634394
tert-butyl (2S,3S,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydroxy-5-oxopyrrolidine-1-carboxylate
CID 89850655
tert-butyl (3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydroxy-5-oxopyrrolidine-1-carboxylate
CID 89850657
tert-butyl (2R,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydroxy-5-oxopyrrolidine-1-carboxylate
CID 140618864
tert-butyl (2R,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-5-oxopyrrolidine-1-carboxylate
CID 141667336

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,3R,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-bis(methoxymethoxy)-5-oxopyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,3R,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-bis(methoxymethoxy)-5-oxopyrrolidine-1-carboxylate (CID 11017255) is tert-butyl (2R,3R,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-bis(methoxymethoxy)-5-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,3R,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-bis(methoxymethoxy)-5-oxopyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,3R,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-bis(methoxymethoxy)-5-oxopyrrolidine-1-carboxylate is COCO[C@H]1[C@H](OCOC)C(=O)N(C(=O)OC(C)(C)C)[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl (2R,3R,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-bis(methoxymethoxy)-5-oxopyrrolidine-1-carboxylate?
The InChIKey is ROPAARLJXNNLDC-CYXNTTPDSA-N. The full InChI is InChI=1S/C30H43NO8Si/c1-29(2,3)39-28(33)31-24(25(36-20-34-7)26(27(31)32)37-21-35-8)19-38-40(30(4,5)6,22-15-11-9-12-16-22)23-17-13-10-14-18-23/h9-18,24-26H,19-21H2,1-8H3/t24-,25-,26+/m1/s1.
What are the key properties of tert-butyl (2R,3R,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-bis(methoxymethoxy)-5-oxopyrrolidine-1-carboxylate?
tert-butyl (2R,3R,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-bis(methoxymethoxy)-5-oxopyrrolidine-1-carboxylate has a molecular weight of 573.76 g/mol, XLogP of 3.69, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,3R,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-bis(methoxymethoxy)-5-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 11017255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).