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

C26H35NO6Si — CID 140618864

IUPACtert-butyl (2R,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydroxy-5-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)[C@H](O)[C@H](O)[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H35NO6Si/c1-25(2,3)33-24(31)27-20(21(28)22(29)23(27)30)17-32-34(26(4,5)6,18-13-9-7-10-14-18)19-15-11-8-12-16-19/h7-16,20-22,28-29H,17H2,1-6H3/t20-,21-,22-/m1/s1
InChIKeyJCFBRYSTXMWESL-YPAWHYETSA-N
MW485.65 g/mol
LogP2.43
Rot. Bonds5

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

tert-butyl (2R,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydroxy-5-oxopyrrolidine-1-carboxylate (PubChem CID 140618864) has the molecular formula C26H35NO6Si and a molecular weight of 485.65 g/mol. Its IUPAC name is tert-butyl (2R,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydroxy-5-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydroxy-5-oxopyrrolidine-1-carboxylate
PubChem CID140618864
Molecular FormulaC26H35NO6Si
Molecular Weight485.65 g/mol
Exact Mass485.22
IUPAC Nametert-butyl (2R,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydroxy-5-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)[C@H](O)[C@H](O)[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H35NO6Si/c1-25(2,3)33-24(31)27-20(21(28)22(29)23(27)30)17-32-34(26(4,5)6,18-13-9-7-10-14-18)19-15-11-8-12-16-19/h7-16,20-22,28-29H,17H2,1-6H3/t20-,21-,22-/m1/s1
InChIKeyJCFBRYSTXMWESL-YPAWHYETSA-N
XLogP2.43
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.65
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 (R)-2-(((tert-butyldiphenylsilyl)oxy)methyl)-5-oxopyrrolidine-1-carboxylate
CID 11826537
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
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
Tert-butyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 11144905
tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxo-3-prop-2-enylpyrrolidine-1-carboxylate
CID 21681574

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydroxy-5-oxopyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydroxy-5-oxopyrrolidine-1-carboxylate (CID 140618864) is tert-butyl (2R,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydroxy-5-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydroxy-5-oxopyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydroxy-5-oxopyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C(=O)[C@H](O)[C@H](O)[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl (2R,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydroxy-5-oxopyrrolidine-1-carboxylate?
The InChIKey is JCFBRYSTXMWESL-YPAWHYETSA-N. The full InChI is InChI=1S/C26H35NO6Si/c1-25(2,3)33-24(31)27-20(21(28)22(29)23(27)30)17-32-34(26(4,5)6,18-13-9-7-10-14-18)19-15-11-8-12-16-19/h7-16,20-22,28-29H,17H2,1-6H3/t20-,21-,22-/m1/s1.
What are the key properties of tert-butyl (2R,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydroxy-5-oxopyrrolidine-1-carboxylate?
tert-butyl (2R,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydroxy-5-oxopyrrolidine-1-carboxylate has a molecular weight of 485.65 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydroxy-5-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 140618864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).