methyl (2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-methylidene-5-oxopyrrolidine-2-carboxylate

C15H27NO4Si — CID 11392848

IUPACmethyl (2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-methylidene-5-oxopyrrolidine-2-carboxylate
SMILESC=C1[C@H](C)C(=O)N[C@@]1(CO[Si](C)(C)C(C)(C)C)C(=O)OC
InChIInChI=1S/C15H27NO4Si/c1-10-11(2)15(13(18)19-6,16-12(10)17)9-20-21(7,8)14(3,4)5/h10H,2,9H2,1,3-8H3,(H,16,17)/t10-,15+/m0/s1
InChIKeyCQCZGUHADMKRBJ-ZUZCIYMTSA-N
MW313.47 g/mol
LogP2.24
Rot. Bonds4

About methyl (2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-methylidene-5-oxopyrrolidine-2-carboxylate

methyl (2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-methylidene-5-oxopyrrolidine-2-carboxylate (PubChem CID 11392848) has the molecular formula C15H27NO4Si and a molecular weight of 313.47 g/mol. Its IUPAC name is methyl (2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-methylidene-5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-methylidene-5-oxopyrrolidine-2-carboxylate
PubChem CID11392848
Molecular FormulaC15H27NO4Si
Molecular Weight313.47 g/mol
Exact Mass313.17
IUPAC Namemethyl (2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-methylidene-5-oxopyrrolidine-2-carboxylate
SMILESC=C1[C@H](C)C(=O)N[C@@]1(CO[Si](C)(C)C(C)(C)C)C(=O)OC
InChIInChI=1S/C15H27NO4Si/c1-10-11(2)15(13(18)19-6,16-12(10)17)9-20-21(7,8)14(3,4)5/h10H,2,9H2,1,3-8H3,(H,16,17)/t10-,15+/m0/s1
InChIKeyCQCZGUHADMKRBJ-ZUZCIYMTSA-N
XLogP2.24
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-methylidene-5-oxopyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-methylidene-5-oxopyrrolidine-2-carboxylate (CID 11392848) is methyl (2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-methylidene-5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-methylidene-5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-methylidene-5-oxopyrrolidine-2-carboxylate is C=C1[C@H](C)C(=O)N[C@@]1(CO[Si](C)(C)C(C)(C)C)C(=O)OC.
What is the InChIKey of methyl (2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-methylidene-5-oxopyrrolidine-2-carboxylate?
The InChIKey is CQCZGUHADMKRBJ-ZUZCIYMTSA-N. The full InChI is InChI=1S/C15H27NO4Si/c1-10-11(2)15(13(18)19-6,16-12(10)17)9-20-21(7,8)14(3,4)5/h10H,2,9H2,1,3-8H3,(H,16,17)/t10-,15+/m0/s1.
What are the key properties of methyl (2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-methylidene-5-oxopyrrolidine-2-carboxylate?
methyl (2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-methylidene-5-oxopyrrolidine-2-carboxylate has a molecular weight of 313.47 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-methylidene-5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 11392848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).