ditert-butyl (2R,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(3-methylbutanoyl)pyrrolidine-1,2-dicarboxylate

C26H49NO6Si — CID 11237354

IUPACditert-butyl (2R,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(3-methylbutanoyl)pyrrolidine-1,2-dicarboxylate
SMILESCC(C)CC(=O)[C@H]1[C@H](CO[Si](C)(C)C(C)(C)C)C[C@H](C(=O)OC(C)(C)C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C26H49NO6Si/c1-17(2)14-20(28)21-18(16-31-34(12,13)26(9,10)11)15-19(22(29)32-24(3,4)5)27(21)23(30)33-25(6,7)8/h17-19,21H,14-16H2,1-13H3/t18-,19+,21+/m0/s1
InChIKeyAIQJKTYHXVGHIV-QKNQBKEWSA-N
MW499.77 g/mol
LogP5.96
Rot. Bonds7

About ditert-butyl (2R,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(3-methylbutanoyl)pyrrolidine-1,2-dicarboxylate

ditert-butyl (2R,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(3-methylbutanoyl)pyrrolidine-1,2-dicarboxylate (PubChem CID 11237354) has the molecular formula C26H49NO6Si and a molecular weight of 499.77 g/mol. Its IUPAC name is ditert-butyl (2R,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(3-methylbutanoyl)pyrrolidine-1,2-dicarboxylate.

Molecular Properties

Compound Nameditert-butyl (2R,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(3-methylbutanoyl)pyrrolidine-1,2-dicarboxylate
PubChem CID11237354
Molecular FormulaC26H49NO6Si
Molecular Weight499.77 g/mol
Exact Mass499.33
IUPAC Nameditert-butyl (2R,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(3-methylbutanoyl)pyrrolidine-1,2-dicarboxylate
SMILESCC(C)CC(=O)[C@H]1[C@H](CO[Si](C)(C)C(C)(C)C)C[C@H](C(=O)OC(C)(C)C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C26H49NO6Si/c1-17(2)14-20(28)21-18(16-31-34(12,13)26(9,10)11)15-19(22(29)32-24(3,4)5)27(21)23(30)33-25(6,7)8/h17-19,21H,14-16H2,1-13H3/t18-,19+,21+/m0/s1
InChIKeyAIQJKTYHXVGHIV-QKNQBKEWSA-N
XLogP5.96
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.77
LogP ≤ 55.96
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

bis(1-fluorobutyl) (2R,4R,5R)-4-[[1-fluorobutyl(dimethyl)silyl]oxymethyl]-5-formylpyrrolidine-1,2-dicarboxylate
CID 88072189
ditert-butyl (2R,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(1,2-dihydroxyethyl)pyrrolidine-1,2-dicarboxylate
CID 11225292
ditert-butyl (2R,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-formylpyrrolidine-1,2-dicarboxylate
CID 11339731
ditert-butyl (2R,4R,5R)-5-[(1S)-1-acetamido-3-methylbutyl]-4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1,2-dicarboxylate
CID 11376186
tert-butyl (4S)-4-[(1S,2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxycarbonylcyclopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 18654186
tert-butyl (4S)-4-[(1S,2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxycarbonylcyclopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 18654187
3-[[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]-4-ethoxy-4-oxobutanoic acid
CID 18657926
Tert-butyl 4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxycarbonylcyclopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 19011045
3-[[4-[Tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]-4-ethoxy-4-oxobutanoic acid
CID 19918182
tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(4-ethoxy-3-methyl-4-oxobutyl)pyrrolidine-1-carboxylate
CID 22864765
Ditert-butyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(3-methylbutanoyl)pyrrolidine-1,2-dicarboxylate
CID 53644922
ditert-butyl (4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(3-methylbutanoyl)pyrrolidine-1,2-dicarboxylate
CID 57216069

Frequently Asked Questions

What is the IUPAC name of ditert-butyl (2R,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(3-methylbutanoyl)pyrrolidine-1,2-dicarboxylate?
The IUPAC name of ditert-butyl (2R,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(3-methylbutanoyl)pyrrolidine-1,2-dicarboxylate (CID 11237354) is ditert-butyl (2R,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(3-methylbutanoyl)pyrrolidine-1,2-dicarboxylate.
What is the SMILES notation for ditert-butyl (2R,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(3-methylbutanoyl)pyrrolidine-1,2-dicarboxylate?
The canonical SMILES for ditert-butyl (2R,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(3-methylbutanoyl)pyrrolidine-1,2-dicarboxylate is CC(C)CC(=O)[C@H]1[C@H](CO[Si](C)(C)C(C)(C)C)C[C@H](C(=O)OC(C)(C)C)N1C(=O)OC(C)(C)C.
What is the InChIKey of ditert-butyl (2R,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(3-methylbutanoyl)pyrrolidine-1,2-dicarboxylate?
The InChIKey is AIQJKTYHXVGHIV-QKNQBKEWSA-N. The full InChI is InChI=1S/C26H49NO6Si/c1-17(2)14-20(28)21-18(16-31-34(12,13)26(9,10)11)15-19(22(29)32-24(3,4)5)27(21)23(30)33-25(6,7)8/h17-19,21H,14-16H2,1-13H3/t18-,19+,21+/m0/s1.
What are the key properties of ditert-butyl (2R,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(3-methylbutanoyl)pyrrolidine-1,2-dicarboxylate?
ditert-butyl (2R,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(3-methylbutanoyl)pyrrolidine-1,2-dicarboxylate has a molecular weight of 499.77 g/mol, XLogP of 5.96, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl (2R,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(3-methylbutanoyl)pyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 11237354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).