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

C20H39NO4Si — CID 12010536

IUPACtert-butyl (2S,3S)-3-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate
SMILESCCCC[C@H]1CC(=O)N(C(=O)OC(C)(C)C)[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H39NO4Si/c1-10-11-12-15-13-17(22)21(18(23)25-19(2,3)4)16(15)14-24-26(8,9)20(5,6)7/h15-16H,10-14H2,1-9H3/t15-,16+/m0/s1
InChIKeyPAOLOUBYBRHFFD-JKSUJKDBSA-N
MW385.62 g/mol
LogP5.35
Rot. Bonds6

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

tert-butyl (2S,3S)-3-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate (PubChem CID 12010536) has the molecular formula C20H39NO4Si and a molecular weight of 385.62 g/mol. Its IUPAC name is tert-butyl (2S,3S)-3-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,3S)-3-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate
PubChem CID12010536
Molecular FormulaC20H39NO4Si
Molecular Weight385.62 g/mol
Exact Mass385.26
IUPAC Nametert-butyl (2S,3S)-3-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate
SMILESCCCC[C@H]1CC(=O)N(C(=O)OC(C)(C)C)[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H39NO4Si/c1-10-11-12-15-13-17(22)21(18(23)25-19(2,3)4)16(15)14-24-26(8,9)20(5,6)7/h15-16H,10-14H2,1-9H3/t15-,16+/m0/s1
InChIKeyPAOLOUBYBRHFFD-JKSUJKDBSA-N
XLogP5.35
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.62
LogP ≤ 55.35
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

tert-butyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-5-oxopyrrolidine-1-carboxylate
CID 10623135
1,1-Dimethylethyl (2S)-2-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-5-oxo-1-pyrrolidinecarboxylate
CID 10903613
(1S,2S,5R)-tert-butyl 2-(((tert-butyldimethylsilyl)oxy)methyl)-4-oxo-3-azabicyclo[3.2.0]heptane-3-carboxylate
CID 101491824
(4S)-3-[(2S)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 15838478
(2s,4r)-1-N-(t-butoxycarbonyl)-4-(3-(t-butyldimethylsilyloxy)propyl)pyrrolidine-2-carboxylic
CID 132427119
tert-butyl (5S)-2-oxo-5-(2-trimethylsilyloxypropan-2-yl)pyrrolidine-1-carboxylate
CID 135018918
(4R)-3-[(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyldecanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 138970673
tert-butyl (2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(3-methoxy-3-oxopropyl)pyrrolidine-1-carboxylate
CID 162400570
tert-butyl (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dideuterio-5-oxopyrrolidine-1-carboxylate
CID 10568516
tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1-methyl-2-oxopiperidin-4-yl)pyrrolidine-1-carboxylate
CID 10645376
tert-butyl 4-[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-2-oxopiperidine-1-carboxylate
CID 10696670
tert-butyl (5S)-2-oxo-5-[tri(propan-2-yl)silyloxymethyl]pyrrolidine-1-carboxylate
CID 11068690

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,3S)-3-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,3S)-3-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate (CID 12010536) is tert-butyl (2S,3S)-3-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,3S)-3-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,3S)-3-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate is CCCC[C@H]1CC(=O)N(C(=O)OC(C)(C)C)[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl (2S,3S)-3-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate?
The InChIKey is PAOLOUBYBRHFFD-JKSUJKDBSA-N. The full InChI is InChI=1S/C20H39NO4Si/c1-10-11-12-15-13-17(22)21(18(23)25-19(2,3)4)16(15)14-24-26(8,9)20(5,6)7/h15-16H,10-14H2,1-9H3/t15-,16+/m0/s1.
What are the key properties of tert-butyl (2S,3S)-3-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate?
tert-butyl (2S,3S)-3-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate has a molecular weight of 385.62 g/mol, XLogP of 5.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,3S)-3-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 12010536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).