tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-oxo-2-(4-oxobutyl)pyrrolidine-1-carboxylate

C19H35NO5Si — CID 101221906

IUPACtert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-oxo-2-(4-oxobutyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C(=O)[C@@H]1CCCC=O
InChIInChI=1S/C19H35NO5Si/c1-18(2,3)24-17(23)20-13-15(25-26(7,8)19(4,5)6)16(22)14(20)11-9-10-12-21/h12,14-15H,9-11,13H2,1-8H3/t14-,15-/m0/s1
InChIKeyLZWPQHMKSBDXDW-GJZGRUSLSA-N
MW385.58 g/mol
LogP3.93
Rot. Bonds6

About tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-oxo-2-(4-oxobutyl)pyrrolidine-1-carboxylate

tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-oxo-2-(4-oxobutyl)pyrrolidine-1-carboxylate (PubChem CID 101221906) has the molecular formula C19H35NO5Si and a molecular weight of 385.58 g/mol. Its IUPAC name is tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-oxo-2-(4-oxobutyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-oxo-2-(4-oxobutyl)pyrrolidine-1-carboxylate
PubChem CID101221906
Molecular FormulaC19H35NO5Si
Molecular Weight385.58 g/mol
Exact Mass385.23
IUPAC Nametert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-oxo-2-(4-oxobutyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C(=O)[C@@H]1CCCC=O
InChIInChI=1S/C19H35NO5Si/c1-18(2,3)24-17(23)20-13-15(25-26(7,8)19(4,5)6)16(22)14(20)11-9-10-12-21/h12,14-15H,9-11,13H2,1-8H3/t14-,15-/m0/s1
InChIKeyLZWPQHMKSBDXDW-GJZGRUSLSA-N
XLogP3.93
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.58
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(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,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2-oxoethyl)pyrrolidine-1,2-dicarboxylate
CID 58289667
tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-methoxy-2,3-dioxopropyl)pyrrolidine-1-carboxylate
CID 67885265
tert-butyl (2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyacetyl]pyrrolidine-1-carboxylate
CID 166485775
Tert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxyacetyl]pyrrolidine-1-carboxylate
CID 175539316
tert-butyl (2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-(2-oxoethyl)pyrrolidine-1-carboxylate
CID 177053901
tert-butyl (2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-formyl-2-methylpyrrolidine-1-carboxylate
CID 177054115
1-O-tert-butyl 2-O-methyl (2S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2-oxopropyl)pyrrolidine-1,2-dicarboxylate
CID 11441420

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-oxo-2-(4-oxobutyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-oxo-2-(4-oxobutyl)pyrrolidine-1-carboxylate (CID 101221906) is tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-oxo-2-(4-oxobutyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-oxo-2-(4-oxobutyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-oxo-2-(4-oxobutyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C(=O)[C@@H]1CCCC=O.
What is the InChIKey of tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-oxo-2-(4-oxobutyl)pyrrolidine-1-carboxylate?
The InChIKey is LZWPQHMKSBDXDW-GJZGRUSLSA-N. The full InChI is InChI=1S/C19H35NO5Si/c1-18(2,3)24-17(23)20-13-15(25-26(7,8)19(4,5)6)16(22)14(20)11-9-10-12-21/h12,14-15H,9-11,13H2,1-8H3/t14-,15-/m0/s1.
What are the key properties of tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-oxo-2-(4-oxobutyl)pyrrolidine-1-carboxylate?
tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-oxo-2-(4-oxobutyl)pyrrolidine-1-carboxylate has a molecular weight of 385.58 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-oxo-2-(4-oxobutyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 101221906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).