tert-butyl (5S)-2-oxo-5-(2-trimethylsilyloxypropan-2-yl)pyrrolidine-1-carboxylate

C15H29NO4Si — CID 135018918

IUPACtert-butyl (5S)-2-oxo-5-(2-trimethylsilyloxypropan-2-yl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)CC[C@H]1C(C)(C)O[Si](C)(C)C
InChIInChI=1S/C15H29NO4Si/c1-14(2,3)19-13(18)16-11(9-10-12(16)17)15(4,5)20-21(6,7)8/h11H,9-10H2,1-8H3/t11-/m0/s1
InChIKeyQSEGFKJGTVTAPL-NSHDSACASA-N
MW315.49 g/mol
LogP3.54
Rot. Bonds3

About tert-butyl (5S)-2-oxo-5-(2-trimethylsilyloxypropan-2-yl)pyrrolidine-1-carboxylate

tert-butyl (5S)-2-oxo-5-(2-trimethylsilyloxypropan-2-yl)pyrrolidine-1-carboxylate (PubChem CID 135018918) has the molecular formula C15H29NO4Si and a molecular weight of 315.49 g/mol. Its IUPAC name is tert-butyl (5S)-2-oxo-5-(2-trimethylsilyloxypropan-2-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (5S)-2-oxo-5-(2-trimethylsilyloxypropan-2-yl)pyrrolidine-1-carboxylate
PubChem CID135018918
Molecular FormulaC15H29NO4Si
Molecular Weight315.49 g/mol
Exact Mass315.19
IUPAC Nametert-butyl (5S)-2-oxo-5-(2-trimethylsilyloxypropan-2-yl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)CC[C@H]1C(C)(C)O[Si](C)(C)C
InChIInChI=1S/C15H29NO4Si/c1-14(2,3)19-13(18)16-11(9-10-12(16)17)15(4,5)20-21(6,7)8/h11H,9-10H2,1-8H3/t11-/m0/s1
InChIKeyQSEGFKJGTVTAPL-NSHDSACASA-N
XLogP3.54
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.49
LogP ≤ 53.54
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
tert-butyl (3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2-oxopyrrolidine-1-carboxylate
CID 101170046
tert-butyl (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dideuterio-5-oxopyrrolidine-1-carboxylate
CID 10568516
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 (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-oxopyrrolidine-1-carboxylate
CID 15546068
tert-butyl (2S,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dideuterio-5-oxopyrrolidine-1-carboxylate
CID 25240168
tert-butyl (5R)-2-oxo-5-[tri(propan-2-yl)silyloxymethyl]pyrrolidine-1-carboxylate
CID 49844342
(S)-tert-butyl 5-((tert-butyldimethylsilyloxy)methyl)-3,3-dimethyl-2-oxopyrrolidine-1-carboxylate
CID 57947696
tert-butyl (3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-2-oxopyrrolidine-1-carboxylate
CID 57951802
tert-butyl (3S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-2-oxopyrrolidine-1-carboxylate
CID 57951857

Frequently Asked Questions

What is the IUPAC name of tert-butyl (5S)-2-oxo-5-(2-trimethylsilyloxypropan-2-yl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (5S)-2-oxo-5-(2-trimethylsilyloxypropan-2-yl)pyrrolidine-1-carboxylate (CID 135018918) is tert-butyl (5S)-2-oxo-5-(2-trimethylsilyloxypropan-2-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (5S)-2-oxo-5-(2-trimethylsilyloxypropan-2-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (5S)-2-oxo-5-(2-trimethylsilyloxypropan-2-yl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C(=O)CC[C@H]1C(C)(C)O[Si](C)(C)C.
What is the InChIKey of tert-butyl (5S)-2-oxo-5-(2-trimethylsilyloxypropan-2-yl)pyrrolidine-1-carboxylate?
The InChIKey is QSEGFKJGTVTAPL-NSHDSACASA-N. The full InChI is InChI=1S/C15H29NO4Si/c1-14(2,3)19-13(18)16-11(9-10-12(16)17)15(4,5)20-21(6,7)8/h11H,9-10H2,1-8H3/t11-/m0/s1.
What are the key properties of tert-butyl (5S)-2-oxo-5-(2-trimethylsilyloxypropan-2-yl)pyrrolidine-1-carboxylate?
tert-butyl (5S)-2-oxo-5-(2-trimethylsilyloxypropan-2-yl)pyrrolidine-1-carboxylate has a molecular weight of 315.49 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (5S)-2-oxo-5-(2-trimethylsilyloxypropan-2-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 135018918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).