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

C16H29NO5Si — CID 6430000

IUPAC2-O-[tert-butyl(dimethyl)silyl] 1-O-(2-methylpropyl) 5-oxopyrrolidine-1,2-dicarboxylate
SMILESCC(C)COC(=O)N1C(=O)CCC1C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H29NO5Si/c1-11(2)10-21-15(20)17-12(8-9-13(17)18)14(19)22-23(6,7)16(3,4)5/h11-12H,8-10H2,1-7H3
InChIKeyLJMQDOAOBLEGDM-UHFFFAOYSA-N
MW343.50 g/mol
LogP3.32
Rot. Bonds4

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

2-O-[tert-butyl(dimethyl)silyl] 1-O-(2-methylpropyl) 5-oxopyrrolidine-1,2-dicarboxylate (PubChem CID 6430000) has the molecular formula C16H29NO5Si and a molecular weight of 343.50 g/mol. Its IUPAC name is 2-O-[tert-butyl(dimethyl)silyl] 1-O-(2-methylpropyl) 5-oxopyrrolidine-1,2-dicarboxylate.

Molecular Properties

Compound Name2-O-[tert-butyl(dimethyl)silyl] 1-O-(2-methylpropyl) 5-oxopyrrolidine-1,2-dicarboxylate
PubChem CID6430000
Molecular FormulaC16H29NO5Si
Molecular Weight343.50 g/mol
Exact Mass343.18
IUPAC Name2-O-[tert-butyl(dimethyl)silyl] 1-O-(2-methylpropyl) 5-oxopyrrolidine-1,2-dicarboxylate
SMILESCC(C)COC(=O)N1C(=O)CCC1C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H29NO5Si/c1-11(2)10-21-15(20)17-12(8-9-13(17)18)14(19)22-23(6,7)16(3,4)5/h11-12H,8-10H2,1-7H3
InChIKeyLJMQDOAOBLEGDM-UHFFFAOYSA-N
XLogP3.32
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,1-Dimethylethyl (2S)-2-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-5-oxo-1-pyrrolidinecarboxylate
CID 10903613
(2S,4R)-1-tert-butyl 2-methyl 4-(tert-butyldimethylsilyloxy)-5-oxopyrrolidine-1,2-dicarboxylate
CID 11793755
(2S,4S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoro-5-oxopyrrolidine-2-carboxylic acid
CID 140819229
(2S,4R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoro-5-oxopyrrolidine-2-carboxylic acid
CID 142327833
methyl (2S,4R)-1-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-4-fluoro-5-oxopyrrolidine-2-carboxylate
CID 142327835
methyl (2S,4R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoro-5-oxopyrrolidine-2-carboxylate
CID 142327858
(2S,4R)-1-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-4-fluoro-5-oxopyrrolidine-2-carboxylic acid
CID 142327861
methyl (2S,4R)-1-[2-[dimethyl(2-methylpentan-2-yl)silyl]oxyethyl]-4-fluoro-5-oxopyrrolidine-2-carboxylate
CID 173754589
methyl (2R,4R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoro-5-oxopyrrolidine-2-carboxylate
CID 175241790
Pro, N-isoBOC TBDMS
CID 529369
ditert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidine-1,2-dicarboxylate
CID 25138495
tert-butyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5-dioxopyrrolidine-1-carboxylate
CID 135019366

Frequently Asked Questions

What is the IUPAC name of 2-O-[tert-butyl(dimethyl)silyl] 1-O-(2-methylpropyl) 5-oxopyrrolidine-1,2-dicarboxylate?
The IUPAC name of 2-O-[tert-butyl(dimethyl)silyl] 1-O-(2-methylpropyl) 5-oxopyrrolidine-1,2-dicarboxylate (CID 6430000) is 2-O-[tert-butyl(dimethyl)silyl] 1-O-(2-methylpropyl) 5-oxopyrrolidine-1,2-dicarboxylate.
What is the SMILES notation for 2-O-[tert-butyl(dimethyl)silyl] 1-O-(2-methylpropyl) 5-oxopyrrolidine-1,2-dicarboxylate?
The canonical SMILES for 2-O-[tert-butyl(dimethyl)silyl] 1-O-(2-methylpropyl) 5-oxopyrrolidine-1,2-dicarboxylate is CC(C)COC(=O)N1C(=O)CCC1C(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-O-[tert-butyl(dimethyl)silyl] 1-O-(2-methylpropyl) 5-oxopyrrolidine-1,2-dicarboxylate?
The InChIKey is LJMQDOAOBLEGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO5Si/c1-11(2)10-21-15(20)17-12(8-9-13(17)18)14(19)22-23(6,7)16(3,4)5/h11-12H,8-10H2,1-7H3.
What are the key properties of 2-O-[tert-butyl(dimethyl)silyl] 1-O-(2-methylpropyl) 5-oxopyrrolidine-1,2-dicarboxylate?
2-O-[tert-butyl(dimethyl)silyl] 1-O-(2-methylpropyl) 5-oxopyrrolidine-1,2-dicarboxylate has a molecular weight of 343.50 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-[tert-butyl(dimethyl)silyl] 1-O-(2-methylpropyl) 5-oxopyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 6430000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).