methyl 5-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolidine-3-carboxylate

C12H23NO4Si — CID 153497790

IUPACmethyl 5-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(COCC[Si](C)(C)C)C1
InChIInChI=1S/C12H23NO4Si/c1-16-12(15)10-7-11(14)13(8-10)9-17-5-6-18(2,3)4/h10H,5-9H2,1-4H3
InChIKeyHGBQMYWTQIWTTQ-UHFFFAOYSA-N
MW273.40 g/mol
LogP1.32
Rot. Bonds6

About methyl 5-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolidine-3-carboxylate

methyl 5-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolidine-3-carboxylate (PubChem CID 153497790) has the molecular formula C12H23NO4Si and a molecular weight of 273.40 g/mol. Its IUPAC name is methyl 5-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolidine-3-carboxylate
PubChem CID153497790
Molecular FormulaC12H23NO4Si
Molecular Weight273.40 g/mol
Exact Mass273.14
IUPAC Namemethyl 5-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(COCC[Si](C)(C)C)C1
InChIInChI=1S/C12H23NO4Si/c1-16-12(15)10-7-11(14)13(8-10)9-17-5-6-18(2,3)4/h10H,5-9H2,1-4H3
InChIKeyHGBQMYWTQIWTTQ-UHFFFAOYSA-N
XLogP1.32
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (3S)-1-ethyl-5-oxopyrrolidine-3-carboxylate
CID 42579819
methyl 1-(2-methylprop-2-enyl)-5-oxopyrrolidine-3-carboxylate
CID 168693022
methyl (3R)-1-butyl-5-oxopyrrolidine-3-carboxylate
CID 94069422
methyl 5-oxo-1-(3-triethoxysilylpropyl)pyrrolidine-3-carboxylate
CID 3023550
methyl 1-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-3-carboxylate
CID 168693454
methyl 2,6-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinane-4-carboxylate
CID 156593558
methyl 1-(3-hydroxy-2,2-dimethylpropyl)-5-oxopyrrolidine-3-carboxylate
CID 168692968
methyl 5-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxylate
CID 168694070
methyl 1-(6-aminohexyl)-5-oxopyrrolidine-3-carboxylate
CID 168694101
7-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)heptanoic acid
CID 168694097
methyl 5-oxo-1-[(4-propoxyphenyl)methyl]pyrrolidine-3-carboxylate
CID 154854179
methyl (3S)-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylate
CID 6932471

Frequently Asked Questions

What is the IUPAC name of methyl 5-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolidine-3-carboxylate?
The IUPAC name of methyl 5-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolidine-3-carboxylate (CID 153497790) is methyl 5-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 5-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 5-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolidine-3-carboxylate is COC(=O)C1CC(=O)N(COCC[Si](C)(C)C)C1.
What is the InChIKey of methyl 5-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolidine-3-carboxylate?
The InChIKey is HGBQMYWTQIWTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4Si/c1-16-12(15)10-7-11(14)13(8-10)9-17-5-6-18(2,3)4/h10H,5-9H2,1-4H3.
What are the key properties of methyl 5-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolidine-3-carboxylate?
methyl 5-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolidine-3-carboxylate has a molecular weight of 273.40 g/mol, XLogP of 1.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 153497790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).