tert-butyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(1-hydroxy-3-trimethylsilylprop-2-ynyl)pyrrolidine-1-carboxylate

C21H41NO4Si2 — CID 66604974

IUPACtert-butyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(1-hydroxy-3-trimethylsilylprop-2-ynyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(O)C#C[Si](C)(C)C
InChIInChI=1S/C21H41NO4Si2/c1-20(2,3)25-19(24)22-14-12-17(26-28(10,11)21(4,5)6)18(22)16(23)13-15-27(7,8)9/h16-18,23H,12,14H2,1-11H3/t16?,17-,18+/m0/s1
InChIKeyYIMJQQXCGGGGAE-UQJFVLDMSA-N
MW427.73 g/mol
LogP4.63
Rot. Bonds3

About tert-butyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(1-hydroxy-3-trimethylsilylprop-2-ynyl)pyrrolidine-1-carboxylate

tert-butyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(1-hydroxy-3-trimethylsilylprop-2-ynyl)pyrrolidine-1-carboxylate (PubChem CID 66604974) has the molecular formula C21H41NO4Si2 and a molecular weight of 427.73 g/mol. Its IUPAC name is tert-butyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(1-hydroxy-3-trimethylsilylprop-2-ynyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(1-hydroxy-3-trimethylsilylprop-2-ynyl)pyrrolidine-1-carboxylate
PubChem CID66604974
Molecular FormulaC21H41NO4Si2
Molecular Weight427.73 g/mol
Exact Mass427.26
IUPAC Nametert-butyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(1-hydroxy-3-trimethylsilylprop-2-ynyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(O)C#C[Si](C)(C)C
InChIInChI=1S/C21H41NO4Si2/c1-20(2,3)25-19(24)22-14-12-17(26-28(10,11)21(4,5)6)18(22)16(23)13-15-27(7,8)9/h16-18,23H,12,14H2,1-11H3/t16?,17-,18+/m0/s1
InChIKeyYIMJQQXCGGGGAE-UQJFVLDMSA-N
XLogP4.63
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.73
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (2R,3S)-2-[(1R)-1-azidoethyl]-3-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1-carboxylate
CID 16732282
tert-butyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-formylpyrrolidine-1-carboxylate
CID 16732142
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 54215964
tert-butyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)pyrrolidine-1-carboxylate
CID 178119932
tert-butyl (2S,3R)-2-(tert-butylcarbamoyl)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1-carboxylate
CID 22872710
tert-butyl (2S,4R)-2-(1-hydroxy-3-trimethylsilylprop-2-ynyl)-4-methylpyrrolidine-1-carboxylate
CID 66600482
tert-butyl (2R,3R)-2-(azidomethyl)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1-carboxylate
CID 129011342
1-O-tert-butyl 2-O-methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,3S)-3-hydroxypyrrolidine-1,2-dicarboxylate
CID 159074162
tert-butyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-2-[(4S)-2-oxo-1,3-oxazolidin-4-yl]ethenyl]pyrrolidine-1-carboxylate
CID 10835514
tert-butyl (3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-1-carboxylate
CID 135017355
tert-butyl (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-formylpiperidine-1-carboxylate
CID 174195504
tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-formylpiperidine-1-carboxylate
CID 170939046

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(1-hydroxy-3-trimethylsilylprop-2-ynyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(1-hydroxy-3-trimethylsilylprop-2-ynyl)pyrrolidine-1-carboxylate (CID 66604974) is tert-butyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(1-hydroxy-3-trimethylsilylprop-2-ynyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(1-hydroxy-3-trimethylsilylprop-2-ynyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(1-hydroxy-3-trimethylsilylprop-2-ynyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(O)C#C[Si](C)(C)C.
What is the InChIKey of tert-butyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(1-hydroxy-3-trimethylsilylprop-2-ynyl)pyrrolidine-1-carboxylate?
The InChIKey is YIMJQQXCGGGGAE-UQJFVLDMSA-N. The full InChI is InChI=1S/C21H41NO4Si2/c1-20(2,3)25-19(24)22-14-12-17(26-28(10,11)21(4,5)6)18(22)16(23)13-15-27(7,8)9/h16-18,23H,12,14H2,1-11H3/t16?,17-,18+/m0/s1.
What are the key properties of tert-butyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(1-hydroxy-3-trimethylsilylprop-2-ynyl)pyrrolidine-1-carboxylate?
tert-butyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(1-hydroxy-3-trimethylsilylprop-2-ynyl)pyrrolidine-1-carboxylate has a molecular weight of 427.73 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(1-hydroxy-3-trimethylsilylprop-2-ynyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 66604974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).