tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)-2-methylpyrrolidine-1-carboxylate

C18H37NO4Si — CID 11405708

IUPACtert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)-2-methylpyrrolidine-1-carboxylate
SMILESCOC[C@]1(C)C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C18H37NO4Si/c1-16(2,3)22-15(20)19-12-14(11-18(19,7)13-21-8)23-24(9,10)17(4,5)6/h14H,11-13H2,1-10H3/t14-,18+/m1/s1
InChIKeyUGHXFEQFTQQFTB-KDOFPFPSSA-N
MW359.58 g/mol
LogP4.42
Rot. Bonds4

About tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)-2-methylpyrrolidine-1-carboxylate

tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)-2-methylpyrrolidine-1-carboxylate (PubChem CID 11405708) has the molecular formula C18H37NO4Si and a molecular weight of 359.58 g/mol. Its IUPAC name is tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)-2-methylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)-2-methylpyrrolidine-1-carboxylate
PubChem CID11405708
Molecular FormulaC18H37NO4Si
Molecular Weight359.58 g/mol
Exact Mass359.25
IUPAC Nametert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)-2-methylpyrrolidine-1-carboxylate
SMILESCOC[C@]1(C)C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C18H37NO4Si/c1-16(2,3)22-15(20)19-12-14(11-18(19,7)13-21-8)23-24(9,10)17(4,5)6/h14H,11-13H2,1-10H3/t14-,18+/m1/s1
InChIKeyUGHXFEQFTQQFTB-KDOFPFPSSA-N
XLogP4.42
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.58
LogP ≤ 54.42
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 (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)-2-methylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)-2-methylpyrrolidine-1-carboxylate (CID 11405708) is tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)-2-methylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)-2-methylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)-2-methylpyrrolidine-1-carboxylate is COC[C@]1(C)C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)-2-methylpyrrolidine-1-carboxylate?
The InChIKey is UGHXFEQFTQQFTB-KDOFPFPSSA-N. The full InChI is InChI=1S/C18H37NO4Si/c1-16(2,3)22-15(20)19-12-14(11-18(19,7)13-21-8)23-24(9,10)17(4,5)6/h14H,11-13H2,1-10H3/t14-,18+/m1/s1.
What are the key properties of tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)-2-methylpyrrolidine-1-carboxylate?
tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)-2-methylpyrrolidine-1-carboxylate has a molecular weight of 359.58 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)-2-methylpyrrolidine-1-carboxylate is sourced from PubChem (CID 11405708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).