1-O-tert-butyl 2-O-methyl (2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-5-oxopyrrolidine-1,2-dicarboxylate

C18H33NO7Si — CID 11246673

IUPAC1-O-tert-butyl 2-O-methyl (2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-5-oxopyrrolidine-1,2-dicarboxylate
SMILESCOC(=O)[C@@]1(CO[Si](C)(C)C(C)(C)C)C[C@H](O)C(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C18H33NO7Si/c1-16(2,3)26-15(23)19-13(21)12(20)10-18(19,14(22)24-7)11-25-27(8,9)17(4,5)6/h12,20H,10-11H2,1-9H3/t12-,18-/m0/s1
InChIKeyMZUVNQMZTHOBPS-SGTLLEGYSA-N
MW403.55 g/mol
LogP2.45
Rot. Bonds4

About 1-O-tert-butyl 2-O-methyl (2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-5-oxopyrrolidine-1,2-dicarboxylate

1-O-tert-butyl 2-O-methyl (2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-5-oxopyrrolidine-1,2-dicarboxylate (PubChem CID 11246673) has the molecular formula C18H33NO7Si and a molecular weight of 403.55 g/mol. Its IUPAC name is 1-O-tert-butyl 2-O-methyl (2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-5-oxopyrrolidine-1,2-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 2-O-methyl (2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-5-oxopyrrolidine-1,2-dicarboxylate
PubChem CID11246673
Molecular FormulaC18H33NO7Si
Molecular Weight403.55 g/mol
Exact Mass403.20
IUPAC Name1-O-tert-butyl 2-O-methyl (2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-5-oxopyrrolidine-1,2-dicarboxylate
SMILESCOC(=O)[C@@]1(CO[Si](C)(C)C(C)(C)C)C[C@H](O)C(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C18H33NO7Si/c1-16(2,3)26-15(23)19-13(21)12(20)10-18(19,14(22)24-7)11-25-27(8,9)17(4,5)6/h12,20H,10-11H2,1-9H3/t12-,18-/m0/s1
InChIKeyMZUVNQMZTHOBPS-SGTLLEGYSA-N
XLogP2.45
TPSA102.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.55
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-O-tert-butyl 2-O-methyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-1,2-dicarboxylate
CID 44603892
(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 90004268
Ditert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1,2-dicarboxylate
CID 90004269
(2R,4R)-4-hydroxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-1-carboxylic acid
CID 132060347
(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid
CID 145713889
methyl (2S,4S)-2-(hydroxymethyl)-1-methoxy-5-oxo-4-tri(propan-2-yl)silyloxypyrrolidine-2-carboxylate
CID 11245822
1-O-tert-butyl 2-O-methyl (2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-5-oxopyrrolidine-1,2-dicarboxylate
CID 11304233
1-O-tert-butyl 2-O-methyl (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-1,2-dicarboxylate
CID 11338207
tert-butyl (2S)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3,4-dihydroxy-2-methyl-5-oxopyrrolidine-1-carboxylate
CID 11794716
1-O-tert-butyl 2-O-methyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-1,2-dicarboxylate
CID 21575594

Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 2-O-methyl (2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-5-oxopyrrolidine-1,2-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 2-O-methyl (2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-5-oxopyrrolidine-1,2-dicarboxylate (CID 11246673) is 1-O-tert-butyl 2-O-methyl (2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-5-oxopyrrolidine-1,2-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 2-O-methyl (2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-5-oxopyrrolidine-1,2-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 2-O-methyl (2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-5-oxopyrrolidine-1,2-dicarboxylate is COC(=O)[C@@]1(CO[Si](C)(C)C(C)(C)C)C[C@H](O)C(=O)N1C(=O)OC(C)(C)C.
What is the InChIKey of 1-O-tert-butyl 2-O-methyl (2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-5-oxopyrrolidine-1,2-dicarboxylate?
The InChIKey is MZUVNQMZTHOBPS-SGTLLEGYSA-N. The full InChI is InChI=1S/C18H33NO7Si/c1-16(2,3)26-15(23)19-13(21)12(20)10-18(19,14(22)24-7)11-25-27(8,9)17(4,5)6/h12,20H,10-11H2,1-9H3/t12-,18-/m0/s1.
What are the key properties of 1-O-tert-butyl 2-O-methyl (2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-5-oxopyrrolidine-1,2-dicarboxylate?
1-O-tert-butyl 2-O-methyl (2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-5-oxopyrrolidine-1,2-dicarboxylate has a molecular weight of 403.55 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 2-O-methyl (2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-5-oxopyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 11246673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).