tert-butyl (2S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-formylpyrrolidine-1-carboxylate

C17H33NO4Si — CID 155921187

IUPACtert-butyl (2S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-formylpyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@H](CO[Si](C)(C)C(C)(C)C)CC[C@@H]1C=O
InChIInChI=1S/C17H33NO4Si/c1-16(2,3)22-15(20)18-13(11-19)9-10-14(18)12-21-23(7,8)17(4,5)6/h11,13-14H,9-10,12H2,1-8H3/t13-,14+/m1/s1
InChIKeyGDPFOFCNAWMJIJ-KGLIPLIRSA-N
MW343.54 g/mol
LogP3.98
Rot. Bonds4

About tert-butyl (2S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-formylpyrrolidine-1-carboxylate

tert-butyl (2S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-formylpyrrolidine-1-carboxylate (PubChem CID 155921187) has the molecular formula C17H33NO4Si and a molecular weight of 343.54 g/mol. Its IUPAC name is tert-butyl (2S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-formylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-formylpyrrolidine-1-carboxylate
PubChem CID155921187
Molecular FormulaC17H33NO4Si
Molecular Weight343.54 g/mol
Exact Mass343.22
IUPAC Nametert-butyl (2S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-formylpyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@H](CO[Si](C)(C)C(C)(C)C)CC[C@@H]1C=O
InChIInChI=1S/C17H33NO4Si/c1-16(2,3)22-15(20)18-13(11-19)9-10-14(18)12-21-23(7,8)17(4,5)6/h11,13-14H,9-10,12H2,1-8H3/t13-,14+/m1/s1
InChIKeyGDPFOFCNAWMJIJ-KGLIPLIRSA-N
XLogP3.98
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.54
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-O-tert-butyl 2-O-ethyl (2S,5S)-5-formylpyrrolidine-1,2-dicarboxylate
CID 59610632
(S)-Di-tert-butyl 5-formylpyrrolidine-1,2-dicarboxylate
CID 86715156
1-O-tert-butyl 2-O-methyl (2S,5S)-5-(2-trimethylsilylethynyl)pyrrolidine-1,2-dicarboxylate
CID 71530207
tert-butyl (2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(4,8-dioxooctyl)pyrrolidine-1-carboxylate
CID 134951070
(2R,4R)-N-tert-butoxycarbonyl-4-tert-butyldimethylsiloxy-2-(2-formylethyl)pyrrolidine
CID 10498568
ditert-butyl (2R,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-formylpyrrolidine-1,2-dicarboxylate
CID 11339731
tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(4-ethoxy-4-oxobutyl)pyrrolidine-1-carboxylate
CID 22864766
tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-oxopropyl)pyrrolidine-1-carboxylate
CID 57095579
1-O-tert-butyl 2-O-methyl (2S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylpyrrolidine-1,2-dicarboxylate
CID 57773824
(S)-methyl 5-(tert-butoxycarbonyl(methyl)amino)-6-(tert-butyldimethylsilyloxy)hexanoate
CID 57947604
1-O-tert-butyl 2-O-methyl (2S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2-oxoethyl)pyrrolidine-1,2-dicarboxylate
CID 58289667
tert-butyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-6-oxohexan-2-yl]-N-(3-methylbutyl)carbamate
CID 59280407

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-formylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-formylpyrrolidine-1-carboxylate (CID 155921187) is tert-butyl (2S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-formylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-formylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-formylpyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1[C@H](CO[Si](C)(C)C(C)(C)C)CC[C@@H]1C=O.
What is the InChIKey of tert-butyl (2S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-formylpyrrolidine-1-carboxylate?
The InChIKey is GDPFOFCNAWMJIJ-KGLIPLIRSA-N. The full InChI is InChI=1S/C17H33NO4Si/c1-16(2,3)22-15(20)18-13(11-19)9-10-14(18)12-21-23(7,8)17(4,5)6/h11,13-14H,9-10,12H2,1-8H3/t13-,14+/m1/s1.
What are the key properties of tert-butyl (2S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-formylpyrrolidine-1-carboxylate?
tert-butyl (2S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-formylpyrrolidine-1-carboxylate has a molecular weight of 343.54 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-formylpyrrolidine-1-carboxylate is sourced from PubChem (CID 155921187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).