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

C28H39NO6Si — CID 139190077

IUPACtert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-[(R)-hydroxy(methoxy)methyl]-5-oxopyrrolidine-1-carboxylate
SMILESCO[C@@H](O)[C@H]1CC(=O)N(C(=O)OC(C)(C)C)[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H39NO6Si/c1-27(2,3)35-26(32)29-23(22(18-24(29)30)25(31)33-7)19-34-36(28(4,5)6,20-14-10-8-11-15-20)21-16-12-9-13-17-21/h8-17,22-23,25,31H,18-19H2,1-7H3/t22-,23+,25+/m0/s1
InChIKeyRNNFGRBNCVUBEC-JBRSBNLGSA-N
MW513.71 g/mol
LogP3.68
Rot. Bonds7

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

tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-[(R)-hydroxy(methoxy)methyl]-5-oxopyrrolidine-1-carboxylate (PubChem CID 139190077) has the molecular formula C28H39NO6Si and a molecular weight of 513.71 g/mol. Its IUPAC name is tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-[(R)-hydroxy(methoxy)methyl]-5-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-[(R)-hydroxy(methoxy)methyl]-5-oxopyrrolidine-1-carboxylate
PubChem CID139190077
Molecular FormulaC28H39NO6Si
Molecular Weight513.71 g/mol
Exact Mass513.25
IUPAC Nametert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-[(R)-hydroxy(methoxy)methyl]-5-oxopyrrolidine-1-carboxylate
SMILESCO[C@@H](O)[C@H]1CC(=O)N(C(=O)OC(C)(C)C)[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H39NO6Si/c1-27(2,3)35-26(32)29-23(22(18-24(29)30)25(31)33-7)19-34-36(28(4,5)6,20-14-10-8-11-15-20)21-16-12-9-13-17-21/h8-17,22-23,25,31H,18-19H2,1-7H3/t22-,23+,25+/m0/s1
InChIKeyRNNFGRBNCVUBEC-JBRSBNLGSA-N
XLogP3.68
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.71
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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 (2R,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxo-3-(3,3,3-trifluoropropyl)pyrrolidine-1-carboxylate
CID 176319699
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 (3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-2-oxopyrrolidine-1-carboxylate
CID 134920326
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
Tert-butyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 11144905

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-[(R)-hydroxy(methoxy)methyl]-5-oxopyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-[(R)-hydroxy(methoxy)methyl]-5-oxopyrrolidine-1-carboxylate (CID 139190077) is tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-[(R)-hydroxy(methoxy)methyl]-5-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-[(R)-hydroxy(methoxy)methyl]-5-oxopyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-[(R)-hydroxy(methoxy)methyl]-5-oxopyrrolidine-1-carboxylate is CO[C@@H](O)[C@H]1CC(=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 (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-[(R)-hydroxy(methoxy)methyl]-5-oxopyrrolidine-1-carboxylate?
The InChIKey is RNNFGRBNCVUBEC-JBRSBNLGSA-N. The full InChI is InChI=1S/C28H39NO6Si/c1-27(2,3)35-26(32)29-23(22(18-24(29)30)25(31)33-7)19-34-36(28(4,5)6,20-14-10-8-11-15-20)21-16-12-9-13-17-21/h8-17,22-23,25,31H,18-19H2,1-7H3/t22-,23+,25+/m0/s1.
What are the key properties of tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-[(R)-hydroxy(methoxy)methyl]-5-oxopyrrolidine-1-carboxylate?
tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-[(R)-hydroxy(methoxy)methyl]-5-oxopyrrolidine-1-carboxylate has a molecular weight of 513.71 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-[(R)-hydroxy(methoxy)methyl]-5-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 139190077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).