tert-butyl (3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-5-methylpyrrolidine-1-carboxylate

C17H35NO4Si — CID 15378140

IUPACtert-butyl (3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-5-methylpyrrolidine-1-carboxylate
SMILESCOC1[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H](C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C17H35NO4Si/c1-12-11-13(22-23(9,10)17(5,6)7)14(20-8)18(12)15(19)21-16(2,3)4/h12-14H,11H2,1-10H3/t12-,13-,14?/m1/s1
InChIKeyAEMNZLHYIVZDDJ-ZFXTZCCVSA-N
MW345.56 g/mol
LogP4.38
Rot. Bonds3

About tert-butyl (3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-5-methylpyrrolidine-1-carboxylate

tert-butyl (3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-5-methylpyrrolidine-1-carboxylate (PubChem CID 15378140) has the molecular formula C17H35NO4Si and a molecular weight of 345.56 g/mol. Its IUPAC name is tert-butyl (3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-5-methylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-5-methylpyrrolidine-1-carboxylate
PubChem CID15378140
Molecular FormulaC17H35NO4Si
Molecular Weight345.56 g/mol
Exact Mass345.23
IUPAC Nametert-butyl (3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-5-methylpyrrolidine-1-carboxylate
SMILESCOC1[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H](C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C17H35NO4Si/c1-12-11-13(22-23(9,10)17(5,6)7)14(20-8)18(12)15(19)21-16(2,3)4/h12-14H,11H2,1-10H3/t12-,13-,14?/m1/s1
InChIKeyAEMNZLHYIVZDDJ-ZFXTZCCVSA-N
XLogP4.38
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.56
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-5-methylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-5-methylpyrrolidine-1-carboxylate (CID 15378140) is tert-butyl (3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-5-methylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-5-methylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-5-methylpyrrolidine-1-carboxylate is COC1[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H](C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-5-methylpyrrolidine-1-carboxylate?
The InChIKey is AEMNZLHYIVZDDJ-ZFXTZCCVSA-N. The full InChI is InChI=1S/C17H35NO4Si/c1-12-11-13(22-23(9,10)17(5,6)7)14(20-8)18(12)15(19)21-16(2,3)4/h12-14H,11H2,1-10H3/t12-,13-,14?/m1/s1.
What are the key properties of tert-butyl (3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-5-methylpyrrolidine-1-carboxylate?
tert-butyl (3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-5-methylpyrrolidine-1-carboxylate has a molecular weight of 345.56 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-5-methylpyrrolidine-1-carboxylate is sourced from PubChem (CID 15378140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).