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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Related Compounds

methyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-2-carboxylate
CID 11694918
methyl 1-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclobutane-1-carboxylate
CID 174067211
cis-methyl (3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-hydroxy-4-methylidenecyclohexane-1-carboxylate
CID 91867254
methyl (2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-oxo-2-prop-2-enyloxolane-2-carboxylate
CID 102142362
(3aS,7aR)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylidenespiro[2,3,3a,7-tetrahydro-1H-indene-5,1'-cyclopropane]-4-one
CID 11034576
ethyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxopyrrolidine-3-carboxylate
CID 170603681
tert-butyl-[2-(iodomethyl)prop-2-enoxy]-dimethylsilane
CID 11358863
(3R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4-trimethyl-5-propan-2-ylpyrrolidin-2-one
CID 54130190
methyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxy-5-methylcyclohexene-1-carboxylate
CID 162372938
methyl (1S,2S,3S,5S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-methoxy-7-methylidene-9-oxobicyclo[3.3.1]nonane-1-carboxylate
CID 10573643
3-O-[2-[tert-butyl(dimethyl)silyl]oxyethyl] 1-O-(2-methoxyethyl) propanedioate
CID 59364516
[(2R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl] methyl carbonate
CID 102073389

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).