tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(5R)-2-methyl-1,2-oxazolidin-5-yl]pyrrolidine-1-carboxylate

C19H38N2O4Si — CID 11132836

IUPACtert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(5R)-2-methyl-1,2-oxazolidin-5-yl]pyrrolidine-1-carboxylate
SMILESCN1CC[C@H]([C@@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)CN2C(=O)OC(C)(C)C)O1
InChIInChI=1S/C19H38N2O4Si/c1-18(2,3)23-17(22)21-13-14(25-26(8,9)19(4,5)6)12-15(21)16-10-11-20(7)24-16/h14-16H,10-13H2,1-9H3/t14-,15+,16-/m1/s1
InChIKeyVYRYXTVRZDALJX-OWCLPIDISA-N
MW386.61 g/mol
LogP4.02
Rot. Bonds3

About tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(5R)-2-methyl-1,2-oxazolidin-5-yl]pyrrolidine-1-carboxylate

tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(5R)-2-methyl-1,2-oxazolidin-5-yl]pyrrolidine-1-carboxylate (PubChem CID 11132836) has the molecular formula C19H38N2O4Si and a molecular weight of 386.61 g/mol. Its IUPAC name is tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(5R)-2-methyl-1,2-oxazolidin-5-yl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(5R)-2-methyl-1,2-oxazolidin-5-yl]pyrrolidine-1-carboxylate
PubChem CID11132836
Molecular FormulaC19H38N2O4Si
Molecular Weight386.61 g/mol
Exact Mass386.26
IUPAC Nametert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(5R)-2-methyl-1,2-oxazolidin-5-yl]pyrrolidine-1-carboxylate
SMILESCN1CC[C@H]([C@@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)CN2C(=O)OC(C)(C)C)O1
InChIInChI=1S/C19H38N2O4Si/c1-18(2,3)23-17(22)21-13-14(25-26(8,9)19(4,5)6)12-15(21)16-10-11-20(7)24-16/h14-16H,10-13H2,1-9H3/t14-,15+,16-/m1/s1
InChIKeyVYRYXTVRZDALJX-OWCLPIDISA-N
XLogP4.02
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.61
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(5R)-2-methyl-1,2-oxazolidin-5-yl]pyrrolidine-1-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(5R)-2-methyl-1,2-oxazolidin-5-yl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(5R)-2-methyl-1,2-oxazolidin-5-yl]pyrrolidine-1-carboxylate (CID 11132836) is tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(5R)-2-methyl-1,2-oxazolidin-5-yl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(5R)-2-methyl-1,2-oxazolidin-5-yl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(5R)-2-methyl-1,2-oxazolidin-5-yl]pyrrolidine-1-carboxylate is CN1CC[C@H]([C@@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)CN2C(=O)OC(C)(C)C)O1.
What is the InChIKey of tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(5R)-2-methyl-1,2-oxazolidin-5-yl]pyrrolidine-1-carboxylate?
The InChIKey is VYRYXTVRZDALJX-OWCLPIDISA-N. The full InChI is InChI=1S/C19H38N2O4Si/c1-18(2,3)23-17(22)21-13-14(25-26(8,9)19(4,5)6)12-15(21)16-10-11-20(7)24-16/h14-16H,10-13H2,1-9H3/t14-,15+,16-/m1/s1.
What are the key properties of tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(5R)-2-methyl-1,2-oxazolidin-5-yl]pyrrolidine-1-carboxylate?
tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(5R)-2-methyl-1,2-oxazolidin-5-yl]pyrrolidine-1-carboxylate has a molecular weight of 386.61 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(5R)-2-methyl-1,2-oxazolidin-5-yl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 11132836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).