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

C18H37NO5Si — CID 57101638

IUPACtert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethoxymethyl)pyrrolidine-1-carboxylate
SMILESCOC(OC)[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C18H37NO5Si/c1-17(2,3)23-16(20)19-12-13(11-14(19)15(21-7)22-8)24-25(9,10)18(4,5)6/h13-15H,11-12H2,1-10H3/t13-,14+/m1/s1
InChIKeyAFKSWIUOISPZRW-KGLIPLIRSA-N
MW375.58 g/mol
LogP4.01
Rot. Bonds5

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

tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethoxymethyl)pyrrolidine-1-carboxylate (PubChem CID 57101638) has the molecular formula C18H37NO5Si and a molecular weight of 375.58 g/mol. Its IUPAC name is tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethoxymethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethoxymethyl)pyrrolidine-1-carboxylate
PubChem CID57101638
Molecular FormulaC18H37NO5Si
Molecular Weight375.58 g/mol
Exact Mass375.24
IUPAC Nametert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethoxymethyl)pyrrolidine-1-carboxylate
SMILESCOC(OC)[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C18H37NO5Si/c1-17(2,3)23-16(20)19-12-13(11-14(19)15(21-7)22-8)24-25(9,10)18(4,5)6/h13-15H,11-12H2,1-10H3/t13-,14+/m1/s1
InChIKeyAFKSWIUOISPZRW-KGLIPLIRSA-N
XLogP4.01
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.58
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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-(dimethoxymethyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethoxymethyl)pyrrolidine-1-carboxylate (CID 57101638) is tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethoxymethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethoxymethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethoxymethyl)pyrrolidine-1-carboxylate is COC(OC)[C@@H]1C[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-(dimethoxymethyl)pyrrolidine-1-carboxylate?
The InChIKey is AFKSWIUOISPZRW-KGLIPLIRSA-N. The full InChI is InChI=1S/C18H37NO5Si/c1-17(2,3)23-16(20)19-12-13(11-14(19)15(21-7)22-8)24-25(9,10)18(4,5)6/h13-15H,11-12H2,1-10H3/t13-,14+/m1/s1.
What are the key properties of tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethoxymethyl)pyrrolidine-1-carboxylate?
tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethoxymethyl)pyrrolidine-1-carboxylate has a molecular weight of 375.58 g/mol, XLogP of 4.01, 5 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-(dimethoxymethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 57101638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).