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

C18H33NO6Si — CID 44603892

IUPAC1-O-tert-butyl 2-O-methyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-1,2-dicarboxylate
SMILESCOC(=O)[C@]1(CO[Si](C)(C)C(C)(C)C)CCC(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C18H33NO6Si/c1-16(2,3)25-15(22)19-13(20)10-11-18(19,14(21)23-7)12-24-26(8,9)17(4,5)6/h10-12H2,1-9H3/t18-/m1/s1
InChIKeyDLCDLHGDVYUOKB-GOSISDBHSA-N
MW387.55 g/mol
LogP3.48
Rot. Bonds4

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

1-O-tert-butyl 2-O-methyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-1,2-dicarboxylate (PubChem CID 44603892) has the molecular formula C18H33NO6Si and a molecular weight of 387.55 g/mol. Its IUPAC name is 1-O-tert-butyl 2-O-methyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-1,2-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 2-O-methyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-1,2-dicarboxylate
PubChem CID44603892
Molecular FormulaC18H33NO6Si
Molecular Weight387.55 g/mol
Exact Mass387.21
IUPAC Name1-O-tert-butyl 2-O-methyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-1,2-dicarboxylate
SMILESCOC(=O)[C@]1(CO[Si](C)(C)C(C)(C)C)CCC(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C18H33NO6Si/c1-16(2,3)25-15(22)19-13(20)10-11-18(19,14(21)23-7)12-24-26(8,9)17(4,5)6/h10-12H2,1-9H3/t18-/m1/s1
InChIKeyDLCDLHGDVYUOKB-GOSISDBHSA-N
XLogP3.48
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.55
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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]pyrrolidine-1,2-dicarboxylate
CID 44603891
1-O-tert-butyl 2-O-methyl (2R)-2-(hydroxymethyl)-5-oxopyrrolidine-1,2-dicarboxylate
CID 44603893
1-O-tert-butyl 2-O-methyl (2S)-2-(hydroxymethyl)-5-oxopyrrolidine-1,2-dicarboxylate
CID 134831942
1-O-tert-butyl 2-O-ethyl (2R,3S,4R)-2-[(1S)-1-acetyloxy-2-methylpropyl]-4-methyl-5-oxo-3-triethylsilyloxypyrrolidine-1,2-dicarboxylate
CID 134939044
1-O-tert-butyl 2-O-ethyl (2R,3S)-2-[(1S)-1-acetyloxy-2-methylpropyl]-5-oxo-3-triethylsilyloxypyrrolidine-1,2-dicarboxylate
CID 134939056
(2R,3S)-3-tert-butyldimethylsilanyloxy-2-methylpyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl Ester
CID 57974635
(2S,3S)-3-tert-butyldimethylsilanyloxy-2-methylpyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester
CID 59754326
(2R,3R)-3-(tert-Butyldimethylsilanyloxy)-2-methylpyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester-2-methyl ester
CID 68456372
(2S,3R)-3-(tert-Butyldimethylsilanyloxy)-2-methylpyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester-2-methyl ester
CID 68459339
tert-Butyl-2-methyl-(2S,3S)-3-{[tert-butyl(dimethyl)silyl]oxy}pyrrolidine-1,2-dicarboxylate
CID 86662914
1-O-tert-butyl 2-O-methyl 2-(2-trimethylsilylethoxymethyl)pyrrolidine-1,2-dicarboxylate
CID 165406053
1-O-tert-butyl 2-O-methyl (2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-5-oxopyrrolidine-1,2-dicarboxylate
CID 11246673

Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 2-O-methyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-1,2-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 2-O-methyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-1,2-dicarboxylate (CID 44603892) is 1-O-tert-butyl 2-O-methyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-1,2-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 2-O-methyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-1,2-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 2-O-methyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-1,2-dicarboxylate is COC(=O)[C@]1(CO[Si](C)(C)C(C)(C)C)CCC(=O)N1C(=O)OC(C)(C)C.
What is the InChIKey of 1-O-tert-butyl 2-O-methyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-1,2-dicarboxylate?
The InChIKey is DLCDLHGDVYUOKB-GOSISDBHSA-N. The full InChI is InChI=1S/C18H33NO6Si/c1-16(2,3)25-15(22)19-13(20)10-11-18(19,14(21)23-7)12-24-26(8,9)17(4,5)6/h10-12H2,1-9H3/t18-/m1/s1.
What are the key properties of 1-O-tert-butyl 2-O-methyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-1,2-dicarboxylate?
1-O-tert-butyl 2-O-methyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-1,2-dicarboxylate has a molecular weight of 387.55 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 2-O-methyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 44603892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).