methyl (2S)-5-oxo-1-(trimethylsilyloxymethyl)pyrrolidine-2-carboxylate

C10H19NO4Si — CID 10944700

IUPACmethyl (2S)-5-oxo-1-(trimethylsilyloxymethyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCC(=O)N1CO[Si](C)(C)C
InChIInChI=1S/C10H19NO4Si/c1-14-10(13)8-5-6-9(12)11(8)7-15-16(2,3)4/h8H,5-7H2,1-4H3/t8-/m0/s1
InChIKeyGMJFCXUWRITUNX-QMMMGPOBSA-N
MW245.35 g/mol
LogP0.96
Rot. Bonds4

About methyl (2S)-5-oxo-1-(trimethylsilyloxymethyl)pyrrolidine-2-carboxylate

methyl (2S)-5-oxo-1-(trimethylsilyloxymethyl)pyrrolidine-2-carboxylate (PubChem CID 10944700) has the molecular formula C10H19NO4Si and a molecular weight of 245.35 g/mol. Its IUPAC name is methyl (2S)-5-oxo-1-(trimethylsilyloxymethyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-5-oxo-1-(trimethylsilyloxymethyl)pyrrolidine-2-carboxylate
PubChem CID10944700
Molecular FormulaC10H19NO4Si
Molecular Weight245.35 g/mol
Exact Mass245.11
IUPAC Namemethyl (2S)-5-oxo-1-(trimethylsilyloxymethyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCC(=O)N1CO[Si](C)(C)C
InChIInChI=1S/C10H19NO4Si/c1-14-10(13)8-5-6-9(12)11(8)7-15-16(2,3)4/h8H,5-7H2,1-4H3/t8-/m0/s1
InChIKeyGMJFCXUWRITUNX-QMMMGPOBSA-N
XLogP0.96
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 50.96
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

methyl 1-ethyl-5-oxopyrrolidine-2-carboxylate
CID 67459237
methyl 1-(hydroxymethyl)-5-oxopyrrolidine-2-carboxylate
CID 13458635
methyl 1-(chloromethyl)-5-oxopyrrolidine-2-carboxylate
CID 10583885
methyl (2S)-1-(cyanomethyl)-5-oxopyrrolidine-2-carboxylate;sulfane
CID 158958204
methyl 5-oxo-1-(piperidin-3-ylmethyl)pyrrolidine-2-carboxylate
CID 121208947
methyl (2S)-5-oxo-1-[[(3S)-piperidin-3-yl]methyl]pyrrolidine-2-carboxylate
CID 129495138
methyl 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-5-oxopyrrolidine-2-carboxylate
CID 153361350
methyl 1-[4-(4-methylpiperazin-1-yl)but-2-ynyl]-5-oxopyrrolidine-2-carboxylate
CID 14254900
methyl (2S)-1-[(2,3-dibromo-4,5-dihydroxyphenyl)methyl]-5-oxopyrrolidine-2-carboxylate
CID 102351523
methyl 1-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-5-oxopyrrolidine-2-carboxylate
CID 10570588
methyl (2R)-5-oxo-1-propan-2-ylpyrrolidine-2-carboxylate
CID 124604356
CID 59074453
CID 59074453

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-5-oxo-1-(trimethylsilyloxymethyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S)-5-oxo-1-(trimethylsilyloxymethyl)pyrrolidine-2-carboxylate (CID 10944700) is methyl (2S)-5-oxo-1-(trimethylsilyloxymethyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S)-5-oxo-1-(trimethylsilyloxymethyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S)-5-oxo-1-(trimethylsilyloxymethyl)pyrrolidine-2-carboxylate is COC(=O)[C@@H]1CCC(=O)N1CO[Si](C)(C)C.
What is the InChIKey of methyl (2S)-5-oxo-1-(trimethylsilyloxymethyl)pyrrolidine-2-carboxylate?
The InChIKey is GMJFCXUWRITUNX-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H19NO4Si/c1-14-10(13)8-5-6-9(12)11(8)7-15-16(2,3)4/h8H,5-7H2,1-4H3/t8-/m0/s1.
What are the key properties of methyl (2S)-5-oxo-1-(trimethylsilyloxymethyl)pyrrolidine-2-carboxylate?
methyl (2S)-5-oxo-1-(trimethylsilyloxymethyl)pyrrolidine-2-carboxylate has a molecular weight of 245.35 g/mol, XLogP of 0.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-5-oxo-1-(trimethylsilyloxymethyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 10944700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).