tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-ethoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylate

C21H41NO5Si — CID 22864760

IUPACtert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-ethoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylate
SMILESCCOC(=O)C(C)C[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C21H41NO5Si/c1-11-25-18(23)15(2)12-16-13-17(27-28(9,10)21(6,7)8)14-22(16)19(24)26-20(3,4)5/h15-17H,11-14H2,1-10H3/t15?,16-,17-/m1/s1
InChIKeySHYQMFJYQCSXGW-YJEKIOLLSA-N
MW415.65 g/mol
LogP4.98
Rot. Bonds6

About tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-ethoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylate

tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-ethoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylate (PubChem CID 22864760) has the molecular formula C21H41NO5Si and a molecular weight of 415.65 g/mol. Its IUPAC name is tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-ethoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-ethoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylate
PubChem CID22864760
Molecular FormulaC21H41NO5Si
Molecular Weight415.65 g/mol
Exact Mass415.28
IUPAC Nametert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-ethoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylate
SMILESCCOC(=O)C(C)C[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C21H41NO5Si/c1-11-25-18(23)15(2)12-16-13-17(27-28(9,10)21(6,7)8)14-22(16)19(24)26-20(3,4)5/h15-17H,11-14H2,1-10H3/t15?,16-,17-/m1/s1
InChIKeySHYQMFJYQCSXGW-YJEKIOLLSA-N
XLogP4.98
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.65
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-ethoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-ethoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylate (CID 22864760) is tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-ethoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-ethoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-ethoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylate is CCOC(=O)C(C)C[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 (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-ethoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylate?
The InChIKey is SHYQMFJYQCSXGW-YJEKIOLLSA-N. The full InChI is InChI=1S/C21H41NO5Si/c1-11-25-18(23)15(2)12-16-13-17(27-28(9,10)21(6,7)8)14-22(16)19(24)26-20(3,4)5/h15-17H,11-14H2,1-10H3/t15?,16-,17-/m1/s1.
What are the key properties of tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-ethoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylate?
tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-ethoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylate has a molecular weight of 415.65 g/mol, XLogP of 4.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-ethoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 22864760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).