tert-butyl (4R)-4-[4-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C20H39NO5Si — CID 10894674

IUPACtert-butyl (4R)-4-[4-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@H](CCC(=O)CO[Si](C)(C)C(C)(C)C)COC1(C)C
InChIInChI=1S/C20H39NO5Si/c1-18(2,3)26-17(23)21-15(13-24-20(21,7)8)11-12-16(22)14-25-27(9,10)19(4,5)6/h15H,11-14H2,1-10H3/t15-/m1/s1
InChIKeyYHVWMYQDKFQKCY-OAHLLOKOSA-N
MW401.62 g/mol
LogP4.73
Rot. Bonds6

About tert-butyl (4R)-4-[4-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4R)-4-[4-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 10894674) has the molecular formula C20H39NO5Si and a molecular weight of 401.62 g/mol. Its IUPAC name is tert-butyl (4R)-4-[4-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-4-[4-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID10894674
Molecular FormulaC20H39NO5Si
Molecular Weight401.62 g/mol
Exact Mass401.26
IUPAC Nametert-butyl (4R)-4-[4-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@H](CCC(=O)CO[Si](C)(C)C(C)(C)C)COC1(C)C
InChIInChI=1S/C20H39NO5Si/c1-18(2,3)26-17(23)21-15(13-24-20(21,7)8)11-12-16(22)14-25-27(9,10)19(4,5)6/h15H,11-14H2,1-10H3/t15-/m1/s1
InChIKeyYHVWMYQDKFQKCY-OAHLLOKOSA-N
XLogP4.73
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.62
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl (4R)-4-[4-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate 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

1,1-Dimethylethyl (2S)-2-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-5-oxo-1-pyrrolidinecarboxylate
CID 10903613
tert-butyl (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dideuterio-5-oxopyrrolidine-1-carboxylate
CID 10568516
tert-butyl (5S)-2-oxo-5-[tri(propan-2-yl)silyloxymethyl]pyrrolidine-1-carboxylate
CID 11068690
2-(Tert-butyldimethylsilanyloxymethyl)-5-oxopyrrolidine-l-carboxylic acid tert-butyl ester
CID 13195228
Tert-butyl (2R)-2-([[tert-butyl(dimethyl)silyl]oxy]methyl)-5-oxo-1-pyrrolidinecarboxylate
CID 13195229
Tert-butyl 2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]acetate
CID 18933235
tert-butyl (2S,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dideuterio-5-oxopyrrolidine-1-carboxylate
CID 25240168
tert-butyl (5R)-2-oxo-5-[tri(propan-2-yl)silyloxymethyl]pyrrolidine-1-carboxylate
CID 49844342
Tert-butyl 2-oxo-5-[tri(propan-2-yl)silyloxymethyl]pyrrolidine-1-carboxylate
CID 75302586
tert-butyl (3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxopyrrolidine-1-carboxylate
CID 150624382
tert-butyl (3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxopyrrolidine-1-carboxylate
CID 150624383
tert-butyl (2S)-2-[4-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]pyrrolidine-1-carboxylate
CID 25112311

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-4-[4-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4R)-4-[4-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 10894674) is tert-butyl (4R)-4-[4-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4R)-4-[4-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4R)-4-[4-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1[C@H](CCC(=O)CO[Si](C)(C)C(C)(C)C)COC1(C)C.
What is the InChIKey of tert-butyl (4R)-4-[4-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is YHVWMYQDKFQKCY-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H39NO5Si/c1-18(2,3)26-17(23)21-15(13-24-20(21,7)8)11-12-16(22)14-25-27(9,10)19(4,5)6/h15H,11-14H2,1-10H3/t15-/m1/s1.
What are the key properties of tert-butyl (4R)-4-[4-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4R)-4-[4-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 401.62 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-4-[4-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 10894674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).