tert-butyl (2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(3-methoxy-3-oxopropyl)pyrrolidine-1-carboxylate

C20H39NO5Si — CID 162400570

IUPACtert-butyl (2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(3-methoxy-3-oxopropyl)pyrrolidine-1-carboxylate
SMILESCOC(=O)CC[C@@H]1CC[C@@H](CO[Si](C)(C)C(C)(C)C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C20H39NO5Si/c1-19(2,3)26-18(23)21-15(12-13-17(22)24-7)10-11-16(21)14-25-27(8,9)20(4,5)6/h15-16H,10-14H2,1-9H3/t15-,16-/m0/s1
InChIKeyDZBYKBVQWQJNKE-HOTGVXAUSA-N
MW401.62 g/mol
LogP4.73
Rot. Bonds6

About tert-butyl (2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(3-methoxy-3-oxopropyl)pyrrolidine-1-carboxylate

tert-butyl (2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(3-methoxy-3-oxopropyl)pyrrolidine-1-carboxylate (PubChem CID 162400570) has the molecular formula C20H39NO5Si and a molecular weight of 401.62 g/mol. Its IUPAC name is tert-butyl (2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(3-methoxy-3-oxopropyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(3-methoxy-3-oxopropyl)pyrrolidine-1-carboxylate
PubChem CID162400570
Molecular FormulaC20H39NO5Si
Molecular Weight401.62 g/mol
Exact Mass401.26
IUPAC Nametert-butyl (2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(3-methoxy-3-oxopropyl)pyrrolidine-1-carboxylate
SMILESCOC(=O)CC[C@@H]1CC[C@@H](CO[Si](C)(C)C(C)(C)C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C20H39NO5Si/c1-19(2,3)26-18(23)21-15(12-13-17(22)24-7)10-11-16(21)14-25-27(8,9)20(4,5)6/h15-16H,10-14H2,1-9H3/t15-,16-/m0/s1
InChIKeyDZBYKBVQWQJNKE-HOTGVXAUSA-N
XLogP4.73
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.62
LogP ≤ 54.73
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 (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-oxobutyl)pyrrolidine-1-carboxylate
CID 11360757
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
tert-Butyl (2R,4R)-4-{[tert-butyl(dimethyl)silyl]oxy}-2-(3-ethoxy-3-oxopropyl)pyrrolidine-1-carboxylate
CID 10621099
tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1R)-3-ethoxy-1-hydroxy-3-oxopropyl]pyrrolidine-1-carboxylate
CID 10645646
(2S,4R)-1-tert-butoxycarbonyl-4-tert-butyldimethylsiloxy-2-[(R)-1-hydroxy-2-(methoxycarbonyl)ethyl]pyrrolidine
CID 10862338
Tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(3-ethoxy-3-oxopropyl)pyrrolidine-1-carboxylate
CID 19427997
tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-ethoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylate
CID 22864760
tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(4-ethoxy-3-methyl-4-oxobutyl)pyrrolidine-1-carboxylate
CID 22864765
tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(4-ethoxy-4-oxobutyl)pyrrolidine-1-carboxylate
CID 22864766
(2S,4R)-4-tert-butyldimethylsiloxy-N-tert-butoxycarbonyl-2-[(1S)-2-methoxycarbonyl-1-hydroxyethyl]pyrrolidine
CID 22864981
tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-ethoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylate
CID 22865009

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(3-methoxy-3-oxopropyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(3-methoxy-3-oxopropyl)pyrrolidine-1-carboxylate (CID 162400570) is tert-butyl (2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(3-methoxy-3-oxopropyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(3-methoxy-3-oxopropyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(3-methoxy-3-oxopropyl)pyrrolidine-1-carboxylate is COC(=O)CC[C@@H]1CC[C@@H](CO[Si](C)(C)C(C)(C)C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(3-methoxy-3-oxopropyl)pyrrolidine-1-carboxylate?
The InChIKey is DZBYKBVQWQJNKE-HOTGVXAUSA-N. The full InChI is InChI=1S/C20H39NO5Si/c1-19(2,3)26-18(23)21-15(12-13-17(22)24-7)10-11-16(21)14-25-27(8,9)20(4,5)6/h15-16H,10-14H2,1-9H3/t15-,16-/m0/s1.
What are the key properties of tert-butyl (2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(3-methoxy-3-oxopropyl)pyrrolidine-1-carboxylate?
tert-butyl (2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(3-methoxy-3-oxopropyl)pyrrolidine-1-carboxylate has a molecular weight of 401.62 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(3-methoxy-3-oxopropyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 162400570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).