tert-butyl (2R)-2-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-5-methoxypyrrolidine-1-carboxylate

C24H51NO5Si2 — CID 10648746

IUPACtert-butyl (2R)-2-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-5-methoxypyrrolidine-1-carboxylate
SMILESCOC1CC[C@H]([C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C24H51NO5Si2/c1-22(2,3)29-21(26)25-18(15-16-20(25)27-10)19(30-32(13,14)24(7,8)9)17-28-31(11,12)23(4,5)6/h18-20H,15-17H2,1-14H3/t18-,19-,20?/m1/s1
InChIKeyUKDZGIQXJRMRQU-LEAGNCFPSA-N
MW489.85 g/mol
LogP6.77
Rot. Bonds7

About tert-butyl (2R)-2-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-5-methoxypyrrolidine-1-carboxylate

tert-butyl (2R)-2-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-5-methoxypyrrolidine-1-carboxylate (PubChem CID 10648746) has the molecular formula C24H51NO5Si2 and a molecular weight of 489.85 g/mol. Its IUPAC name is tert-butyl (2R)-2-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-5-methoxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-5-methoxypyrrolidine-1-carboxylate
PubChem CID10648746
Molecular FormulaC24H51NO5Si2
Molecular Weight489.85 g/mol
Exact Mass489.33
IUPAC Nametert-butyl (2R)-2-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-5-methoxypyrrolidine-1-carboxylate
SMILESCOC1CC[C@H]([C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C24H51NO5Si2/c1-22(2,3)29-21(26)25-18(15-16-20(25)27-10)19(30-32(13,14)24(7,8)9)17-28-31(11,12)23(4,5)6/h18-20H,15-17H2,1-14H3/t18-,19-,20?/m1/s1
InChIKeyUKDZGIQXJRMRQU-LEAGNCFPSA-N
XLogP6.77
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.85
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxypyrrolidine-1-carboxylate
CID 11002477
Tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate
CID 14436246
(2S,4R)-4-(tert-butyldimethylsilyloxy)-1-(tert-butoxycarbonyl)-2-methoxymethylpyrrolidine
CID 15117246
Tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(1,2-dihydroxyethyl)pyrrolidine-1-carboxylate
CID 19427908
Tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxypropyl)pyrrolidine-1-carboxylate
CID 19427932
Tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)pyrrolidine-1-carboxylate
CID 19900191
(2R,4R)-N-tert-butoxycarbonyl-4-tert-butyldimethylsiloxy-2-(2-hydroxypropyl)pyrrolidine
CID 22864761
tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1,2-dihydroxyethyl)pyrrolidine-1-carboxylate
CID 22864998
tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methoxy]propyl]pyrrolidine-1-carboxylate
CID 22865004
Tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)pyrrolidine-1-carboxylate
CID 54376129
tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]pyrrolidine-1-carboxylate
CID 54422150
tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxyethyl)pyrrolidine-1-carboxylate
CID 57238151

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-5-methoxypyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-5-methoxypyrrolidine-1-carboxylate (CID 10648746) is tert-butyl (2R)-2-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-5-methoxypyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-5-methoxypyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-5-methoxypyrrolidine-1-carboxylate is COC1CC[C@H]([C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-5-methoxypyrrolidine-1-carboxylate?
The InChIKey is UKDZGIQXJRMRQU-LEAGNCFPSA-N. The full InChI is InChI=1S/C24H51NO5Si2/c1-22(2,3)29-21(26)25-18(15-16-20(25)27-10)19(30-32(13,14)24(7,8)9)17-28-31(11,12)23(4,5)6/h18-20H,15-17H2,1-14H3/t18-,19-,20?/m1/s1.
What are the key properties of tert-butyl (2R)-2-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-5-methoxypyrrolidine-1-carboxylate?
tert-butyl (2R)-2-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-5-methoxypyrrolidine-1-carboxylate has a molecular weight of 489.85 g/mol, XLogP of 6.77, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-5-methoxypyrrolidine-1-carboxylate is sourced from PubChem (CID 10648746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).