2-O-[tert-butyl(dimethyl)silyl] 1-O-(2-methylpropyl) (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylate

C22H45NO5Si2 — CID 91749261

IUPAC2-O-[tert-butyl(dimethyl)silyl] 1-O-(2-methylpropyl) (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylate
SMILESCC(C)COC(=O)N1C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H45NO5Si2/c1-16(2)15-26-20(25)23-14-17(27-29(9,10)21(3,4)5)13-18(23)19(24)28-30(11,12)22(6,7)8/h16-18H,13-15H2,1-12H3/t17-,18-/m0/s1
InChIKeyCDVLWZRNKSBRMM-ROUUACIJSA-N
MW459.78 g/mol
LogP5.79
Rot. Bonds6

About 2-O-[tert-butyl(dimethyl)silyl] 1-O-(2-methylpropyl) (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylate

2-O-[tert-butyl(dimethyl)silyl] 1-O-(2-methylpropyl) (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylate (PubChem CID 91749261) has the molecular formula C22H45NO5Si2 and a molecular weight of 459.78 g/mol. Its IUPAC name is 2-O-[tert-butyl(dimethyl)silyl] 1-O-(2-methylpropyl) (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylate.

Molecular Properties

Compound Name2-O-[tert-butyl(dimethyl)silyl] 1-O-(2-methylpropyl) (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylate
PubChem CID91749261
Molecular FormulaC22H45NO5Si2
Molecular Weight459.78 g/mol
Exact Mass459.28
IUPAC Name2-O-[tert-butyl(dimethyl)silyl] 1-O-(2-methylpropyl) (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylate
SMILESCC(C)COC(=O)N1C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H45NO5Si2/c1-16(2)15-26-20(25)23-14-17(27-29(9,10)21(3,4)5)13-18(23)19(24)28-30(11,12)22(6,7)8/h16-18H,13-15H2,1-12H3/t17-,18-/m0/s1
InChIKeyCDVLWZRNKSBRMM-ROUUACIJSA-N
XLogP5.79
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.78
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-O-[tert-butyl(dimethyl)silyl] 1-O-(2-methylpropyl) (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-Butyl (2S,4R)-4-((tert-butyldimethylsilyl)oxy)-2-formylpyrrolidine-1-carboxylate
CID 10969557
(2S,4R)-1-tert-butyl 2-methyl 4-(tert-butyldimethylsilyloxy)-5-oxopyrrolidine-1,2-dicarboxylate
CID 11793755
(2S,3S)-3-(tert-Butyl-dimethyl-silanyloxy)-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester
CID 21636779
1,1-Dimethylethyl (2S,4S)-4-(((1,1-dimethylethyl)dimethylsilyl)oxy)-2-formyl-1-pyrrolidinecarboxylate
CID 57754007
Pro, N-isoBOC TBDMS
CID 529369
L-Proline, 4-[(tert-butyldimethylsilyl)oxy]-1-(tert-butyldimethylsilyl)-, tert-butyldimethylsilyl ester
CID 553807
(2R)-Pyrrolidine-1,2-dicarboxylic acid, bis(tert-butyldimethylsilyl) ester
CID 91742919
ditert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidine-1,2-dicarboxylate
CID 25138495
ditert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylate
CID 102027970
1-O-tert-butyl 2-O-methyl (2S)-4-(3-trimethoxysilylpropoxy)pyrrolidine-1,2-dicarboxylate
CID 134946722
4r-((t-Butyldimethylsilyl)oxy)-1-(methoxycarbonyl)-l-proline
CID 163183585
proline, N(O,S)-isoBOC TBDMS
CID 91751443

Frequently Asked Questions

What is the IUPAC name of 2-O-[tert-butyl(dimethyl)silyl] 1-O-(2-methylpropyl) (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylate?
The IUPAC name of 2-O-[tert-butyl(dimethyl)silyl] 1-O-(2-methylpropyl) (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylate (CID 91749261) is 2-O-[tert-butyl(dimethyl)silyl] 1-O-(2-methylpropyl) (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylate.
What is the SMILES notation for 2-O-[tert-butyl(dimethyl)silyl] 1-O-(2-methylpropyl) (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylate?
The canonical SMILES for 2-O-[tert-butyl(dimethyl)silyl] 1-O-(2-methylpropyl) (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylate is CC(C)COC(=O)N1C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-O-[tert-butyl(dimethyl)silyl] 1-O-(2-methylpropyl) (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylate?
The InChIKey is CDVLWZRNKSBRMM-ROUUACIJSA-N. The full InChI is InChI=1S/C22H45NO5Si2/c1-16(2)15-26-20(25)23-14-17(27-29(9,10)21(3,4)5)13-18(23)19(24)28-30(11,12)22(6,7)8/h16-18H,13-15H2,1-12H3/t17-,18-/m0/s1.
What are the key properties of 2-O-[tert-butyl(dimethyl)silyl] 1-O-(2-methylpropyl) (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylate?
2-O-[tert-butyl(dimethyl)silyl] 1-O-(2-methylpropyl) (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylate has a molecular weight of 459.78 g/mol, XLogP of 5.79, 6 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) (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 91749261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).