tert-butyl (2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate

C28H59NO6Si3 — CID 15451658

IUPACtert-butyl (2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H59NO6Si3/c1-25(2,3)33-24(31)29-20(19-32-36(13,14)26(4,5)6)21(34-37(15,16)27(7,8)9)22(23(29)30)35-38(17,18)28(10,11)12/h20-22H,19H2,1-18H3/t20-,21-,22-/m1/s1
InChIKeyIDJPOPIFMLDRHB-YPAWHYETSA-N
MW590.04 g/mol
LogP7.93
Rot. Bonds7

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

tert-butyl (2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate (PubChem CID 15451658) has the molecular formula C28H59NO6Si3 and a molecular weight of 590.04 g/mol. Its IUPAC name is tert-butyl (2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate
PubChem CID15451658
Molecular FormulaC28H59NO6Si3
Molecular Weight590.04 g/mol
Exact Mass589.37
IUPAC Nametert-butyl (2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H59NO6Si3/c1-25(2,3)33-24(31)29-20(19-32-36(13,14)26(4,5)6)21(34-37(15,16)27(7,8)9)22(23(29)30)35-38(17,18)28(10,11)12/h20-22H,19H2,1-18H3/t20-,21-,22-/m1/s1
InChIKeyIDJPOPIFMLDRHB-YPAWHYETSA-N
XLogP7.93
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.04
LogP ≤ 57.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1,1-Dimethylethyl (2S)-2-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-5-oxo-1-pyrrolidinecarboxylate
CID 10903613
tert-butyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate
CID 14436271
ditert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidine-1,2-dicarboxylate
CID 25138495
tert-butyl (4S)-4-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methoxy-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 134833625
tert-butyl (2S,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(difluoromethyl)-5-oxopyrrolidine-1-carboxylate
CID 11203003
tert-butyl (2S,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(difluoromethyl)-5-oxopyrrolidine-1-carboxylate
CID 11398108
tert-butyl (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dideuterio-5-oxopyrrolidine-1-carboxylate
CID 10568516
tert-butyl (3aR,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-4-oxo-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate
CID 10894673
tert-butyl (5S)-2-oxo-5-[tri(propan-2-yl)silyloxymethyl]pyrrolidine-1-carboxylate
CID 11068690
2-(Tert-butyldimethylsilanyloxymethyl)-5-oxopyrrolidine-l-carboxylic acid tert-butyl ester
CID 13195228
Tert-butyl (2R)-2-([[tert-butyl(dimethyl)silyl]oxy]methyl)-5-oxo-1-pyrrolidinecarboxylate
CID 13195229
tert-butyl (2S,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dideuterio-5-oxopyrrolidine-1-carboxylate
CID 25240168

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate (CID 15451658) is tert-butyl (2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl (2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate?
The InChIKey is IDJPOPIFMLDRHB-YPAWHYETSA-N. The full InChI is InChI=1S/C28H59NO6Si3/c1-25(2,3)33-24(31)29-20(19-32-36(13,14)26(4,5)6)21(34-37(15,16)27(7,8)9)22(23(29)30)35-38(17,18)28(10,11)12/h20-22H,19H2,1-18H3/t20-,21-,22-/m1/s1.
What are the key properties of tert-butyl (2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate?
tert-butyl (2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate has a molecular weight of 590.04 g/mol, XLogP of 7.93, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 15451658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).