tert-butyl (3S,5R)-5-ethyl-2-oxo-3-(3-trimethylsilylpropyl)pyrrolidine-1-carboxylate

C17H33NO3Si — CID 102474515

IUPACtert-butyl (3S,5R)-5-ethyl-2-oxo-3-(3-trimethylsilylpropyl)pyrrolidine-1-carboxylate
SMILESCC[C@@H]1C[C@H](CCC[Si](C)(C)C)C(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C17H33NO3Si/c1-8-14-12-13(10-9-11-22(5,6)7)15(19)18(14)16(20)21-17(2,3)4/h13-14H,8-12H2,1-7H3/t13-,14+/m0/s1
InChIKeyHEDFSQSBCYNDSC-UONOGXRCSA-N
MW327.54 g/mol
LogP4.67
Rot. Bonds5

About tert-butyl (3S,5R)-5-ethyl-2-oxo-3-(3-trimethylsilylpropyl)pyrrolidine-1-carboxylate

tert-butyl (3S,5R)-5-ethyl-2-oxo-3-(3-trimethylsilylpropyl)pyrrolidine-1-carboxylate (PubChem CID 102474515) has the molecular formula C17H33NO3Si and a molecular weight of 327.54 g/mol. Its IUPAC name is tert-butyl (3S,5R)-5-ethyl-2-oxo-3-(3-trimethylsilylpropyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S,5R)-5-ethyl-2-oxo-3-(3-trimethylsilylpropyl)pyrrolidine-1-carboxylate
PubChem CID102474515
Molecular FormulaC17H33NO3Si
Molecular Weight327.54 g/mol
Exact Mass327.22
IUPAC Nametert-butyl (3S,5R)-5-ethyl-2-oxo-3-(3-trimethylsilylpropyl)pyrrolidine-1-carboxylate
SMILESCC[C@@H]1C[C@H](CCC[Si](C)(C)C)C(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C17H33NO3Si/c1-8-14-12-13(10-9-11-22(5,6)7)15(19)18(14)16(20)21-17(2,3)4/h13-14H,8-12H2,1-7H3/t13-,14+/m0/s1
InChIKeyHEDFSQSBCYNDSC-UONOGXRCSA-N
XLogP4.67
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.54
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-O-tert-butyl 3-O-methyl (5R)-5-ethyl-2-oxopyrrolidine-1,3-dicarboxylate
CID 170406657
(3R,5S)-1-acetyl-5-ethyl-3-[3-tri(propan-2-yl)silylpropyl]pyrrolidin-2-one
CID 101232495
tert-butyl (3R,5R)-3-hydroxy-5-methyl-2-oxopyrrolidine-1-carboxylate
CID 10976837
tert-butyl (3R,5S)-5-(hydroxymethyl)-3-methyl-2-oxopyrrolidine-1-carboxylate
CID 22883709
tert-butyl (2S,4R)-4-hydroxy-2-methyl-6-oxopiperidine-1-carboxylate
CID 102357347
tert-butyl 5-(iodomethyl)-3-methyl-2-oxopyrrolidine-1-carboxylate
CID 130003338
tert-butyl (5R)-3-[(dimethylamino)methyl]-2-oxo-5-[2-(4-phenylphenyl)ethyl]pyrrolidine-1-carboxylate
CID 143834441
tert-butyl 2-(aminomethyl)-3-hydroxy-5-oxopyrrolidine-1-carboxylate
CID 72974214
trans-(2R,4S)-2-ethyl-4-(3-trimethylsilylpropyl)cyclopentan-1-one
CID 101216177
tert-butyl (2R,3S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-hydroxy-5-oxopyrrolidine-1-carboxylate
CID 53253789
tert-butyl 2-ethylaziridine-1-carboxylate
CID 73192323
1-O-tert-butyl 2-O-ethyl (2S,4R)-5-oxo-4-prop-2-enylpyrrolidine-1,2-dicarboxylate
CID 5287387

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S,5R)-5-ethyl-2-oxo-3-(3-trimethylsilylpropyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3S,5R)-5-ethyl-2-oxo-3-(3-trimethylsilylpropyl)pyrrolidine-1-carboxylate (CID 102474515) is tert-butyl (3S,5R)-5-ethyl-2-oxo-3-(3-trimethylsilylpropyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S,5R)-5-ethyl-2-oxo-3-(3-trimethylsilylpropyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S,5R)-5-ethyl-2-oxo-3-(3-trimethylsilylpropyl)pyrrolidine-1-carboxylate is CC[C@@H]1C[C@H](CCC[Si](C)(C)C)C(=O)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (3S,5R)-5-ethyl-2-oxo-3-(3-trimethylsilylpropyl)pyrrolidine-1-carboxylate?
The InChIKey is HEDFSQSBCYNDSC-UONOGXRCSA-N. The full InChI is InChI=1S/C17H33NO3Si/c1-8-14-12-13(10-9-11-22(5,6)7)15(19)18(14)16(20)21-17(2,3)4/h13-14H,8-12H2,1-7H3/t13-,14+/m0/s1.
What are the key properties of tert-butyl (3S,5R)-5-ethyl-2-oxo-3-(3-trimethylsilylpropyl)pyrrolidine-1-carboxylate?
tert-butyl (3S,5R)-5-ethyl-2-oxo-3-(3-trimethylsilylpropyl)pyrrolidine-1-carboxylate has a molecular weight of 327.54 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S,5R)-5-ethyl-2-oxo-3-(3-trimethylsilylpropyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 102474515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).