tert-butyl (2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-formyl-2-methylpyrrolidine-1-carboxylate

C17H33NO4Si — CID 177054115

IUPACtert-butyl (2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-formyl-2-methylpyrrolidine-1-carboxylate
SMILESC[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H](C=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C17H33NO4Si/c1-12-14(22-23(8,9)17(5,6)7)10-13(11-19)18(12)15(20)21-16(2,3)4/h11-14H,10H2,1-9H3/t12-,13+,14-/m1/s1
InChIKeyPFTRWIRESSHBBH-HZSPNIEDSA-N
MW343.54 g/mol
LogP3.97
Rot. Bonds3

About tert-butyl (2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-formyl-2-methylpyrrolidine-1-carboxylate

tert-butyl (2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-formyl-2-methylpyrrolidine-1-carboxylate (PubChem CID 177054115) has the molecular formula C17H33NO4Si and a molecular weight of 343.54 g/mol. Its IUPAC name is tert-butyl (2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-formyl-2-methylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-formyl-2-methylpyrrolidine-1-carboxylate
PubChem CID177054115
Molecular FormulaC17H33NO4Si
Molecular Weight343.54 g/mol
Exact Mass343.22
IUPAC Nametert-butyl (2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-formyl-2-methylpyrrolidine-1-carboxylate
SMILESC[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H](C=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C17H33NO4Si/c1-12-14(22-23(8,9)17(5,6)7)10-13(11-19)18(12)15(20)21-16(2,3)4/h11-14H,10H2,1-9H3/t12-,13+,14-/m1/s1
InChIKeyPFTRWIRESSHBBH-HZSPNIEDSA-N
XLogP3.97
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.54
LogP ≤ 53.97
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

tert-Butyl (2S,4R)-4-((tert-butyldimethylsilyl)oxy)-2-formylpyrrolidine-1-carboxylate
CID 10969557
tert-Butyl-(2S,3R)-3-{[tert-butyl(dimethyl)silyl]oxy}-2-formylpyrrolidine-1-carboxylate
CID 16732142
1,1-Dimethylethyl (2S,4S)-4-(((1,1-dimethylethyl)dimethylsilyl)oxy)-2-formyl-1-pyrrolidinecarboxylate
CID 57754007
ditert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylate
CID 102027970
(2R,4R)-N-tert-butoxycarbonyl-4-tert-butyldimethylsiloxy-2-(2-formylethyl)pyrrolidine
CID 10498568
(2S,4R)-1-tert-Butyl 2-methyl 4-((tert-butyldimethylsilyl)oxy)pyrrolidine-1,2-dicarboxylate
CID 10618477
(2S,4R)-N-tert-butoxycarbonyl-4-tert-butyldimethylsiloxy-2-(formylmethyl)pyrrolidine
CID 10807344
(2S,4S)-1-tert-Butyl 2-methyl 4-((tert-butyldimethylsilyl)oxy)pyrrolidine-1,2-dicarboxylate
CID 11371823
rel-tert-Butyl (2R,4S)-4-((tert-butyldimethylsilyl)oxy)-2-formylpiperidine-1-carboxylate
CID 11772280
1-Tert-butyl 2-methyl 4-((tert-butyldimethylsilyl)oxy)pyrrolidine-1,2-dicarboxylate
CID 14117002
1-(tert-Butyl) 2-methyl (2R,4R)-4-((tert-butyldimethylsilyl)oxy)pyrrolidine-1,2-dicarboxylate
CID 14117003
3-(tert-Butyldimethylsilanyloxy)-2-formylpyrrolidine-1-carboxylic acid tert-butyl ester
CID 14735135

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-formyl-2-methylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-formyl-2-methylpyrrolidine-1-carboxylate (CID 177054115) is tert-butyl (2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-formyl-2-methylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-formyl-2-methylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-formyl-2-methylpyrrolidine-1-carboxylate is C[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H](C=O)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-formyl-2-methylpyrrolidine-1-carboxylate?
The InChIKey is PFTRWIRESSHBBH-HZSPNIEDSA-N. The full InChI is InChI=1S/C17H33NO4Si/c1-12-14(22-23(8,9)17(5,6)7)10-13(11-19)18(12)15(20)21-16(2,3)4/h11-14H,10H2,1-9H3/t12-,13+,14-/m1/s1.
What are the key properties of tert-butyl (2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-formyl-2-methylpyrrolidine-1-carboxylate?
tert-butyl (2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-formyl-2-methylpyrrolidine-1-carboxylate has a molecular weight of 343.54 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-formyl-2-methylpyrrolidine-1-carboxylate is sourced from PubChem (CID 177054115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).