tert-butyl (2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxopyrrolidine-1-carboxylate

C17H33NO4Si — CID 156636364

IUPACtert-butyl (2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)CC[C@@H]1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H33NO4Si/c1-16(2,3)22-15(20)18-13(9-10-14(18)19)11-12-21-23(7,8)17(4,5)6/h13H,9-12H2,1-8H3/t13-/m1/s1
InChIKeyQMXFYCJPLYDLRB-CYBMUJFWSA-N
MW343.54 g/mol
LogP4.32
Rot. Bonds4

About tert-butyl (2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxopyrrolidine-1-carboxylate

tert-butyl (2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxopyrrolidine-1-carboxylate (PubChem CID 156636364) has the molecular formula C17H33NO4Si and a molecular weight of 343.54 g/mol. Its IUPAC name is tert-butyl (2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxopyrrolidine-1-carboxylate
PubChem CID156636364
Molecular FormulaC17H33NO4Si
Molecular Weight343.54 g/mol
Exact Mass343.22
IUPAC Nametert-butyl (2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)CC[C@@H]1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H33NO4Si/c1-16(2,3)22-15(20)18-13(9-10-14(18)19)11-12-21-23(7,8)17(4,5)6/h13H,9-12H2,1-8H3/t13-/m1/s1
InChIKeyQMXFYCJPLYDLRB-CYBMUJFWSA-N
XLogP4.32
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.54
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,1-Dimethylethyl (2S)-2-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-5-oxo-1-pyrrolidinecarboxylate
CID 10903613
(4S)-3-[(2S)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 15838478
tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-oxobutyl)pyrrolidine-1-carboxylate
CID 11360757
(2R,4R)-N-tert-butoxycarbonyl-4-tert-butyldimethylsiloxy-2-(2-formylethyl)pyrrolidine
CID 10498568
tert-butyl (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dideuterio-5-oxopyrrolidine-1-carboxylate
CID 10568516
tert-Butyl (2R,4R)-4-{[tert-butyl(dimethyl)silyl]oxy}-2-(3-ethoxy-3-oxopropyl)pyrrolidine-1-carboxylate
CID 10621099
tert-butyl (5S)-2-oxo-5-[tri(propan-2-yl)silyloxymethyl]pyrrolidine-1-carboxylate
CID 11068690
2-(Tert-butyldimethylsilanyloxymethyl)-5-oxopyrrolidine-l-carboxylic acid tert-butyl ester
CID 13195228
Tert-butyl (2R)-2-([[tert-butyl(dimethyl)silyl]oxy]methyl)-5-oxo-1-pyrrolidinecarboxylate
CID 13195229
Tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(3-ethoxy-3-oxopropyl)pyrrolidine-1-carboxylate
CID 19427997
(2S,4R)-N-tert-butoxycarbonyl-4-tert-butyldimethylsiloxy-2-(2-ethoxycarbonyl)ethylpyrrolidine
CID 22865010
tert-butyl (2S,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dideuterio-5-oxopyrrolidine-1-carboxylate
CID 25240168

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxopyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxopyrrolidine-1-carboxylate (CID 156636364) is tert-butyl (2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxopyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxopyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C(=O)CC[C@@H]1CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxopyrrolidine-1-carboxylate?
The InChIKey is QMXFYCJPLYDLRB-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H33NO4Si/c1-16(2,3)22-15(20)18-13(9-10-14(18)19)11-12-21-23(7,8)17(4,5)6/h13H,9-12H2,1-8H3/t13-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxopyrrolidine-1-carboxylate?
tert-butyl (2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxopyrrolidine-1-carboxylate has a molecular weight of 343.54 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 156636364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).