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

C18H35NO4Si — CID 57095579

IUPACtert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-oxopropyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@@H](C[C@@H]1CCC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H35NO4Si/c1-17(2,3)22-16(21)19-13-15(12-14(19)10-9-11-20)23-24(7,8)18(4,5)6/h11,14-15H,9-10,12-13H2,1-8H3/t14-,15+/m0/s1
InChIKeyHDNWHZOQBTZWII-LSDHHAIUSA-N
MW357.60 g/mol
LogP—
Rot. Bonds8

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

tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-oxopropyl)pyrrolidine-1-carboxylate (PubChem CID 57095579) has the molecular formula C18H35NO4Si and a molecular weight of 357.60 g/mol. Its IUPAC name is tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-oxopropyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-oxopropyl)pyrrolidine-1-carboxylate
PubChem CID57095579
Molecular FormulaC18H35NO4Si
Molecular Weight357.60 g/mol
Exact Mass357.23
IUPAC Nametert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-oxopropyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@@H](C[C@@H]1CCC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H35NO4Si/c1-17(2,3)22-16(21)19-13-15(12-14(19)10-9-11-20)23-24(7,8)18(4,5)6/h11,14-15H,9-10,12-13H2,1-8H3/t14-,15+/m0/s1
InChIKeyHDNWHZOQBTZWII-LSDHHAIUSA-N
XLogP—
TPSA55.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity451

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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-(3-oxopropyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-oxopropyl)pyrrolidine-1-carboxylate (CID 57095579) is tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-oxopropyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-oxopropyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-oxopropyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C[C@@H](C[C@@H]1CCC=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-oxopropyl)pyrrolidine-1-carboxylate?
The InChIKey is HDNWHZOQBTZWII-LSDHHAIUSA-N. The full InChI is InChI=1S/C18H35NO4Si/c1-17(2,3)22-16(21)19-13-15(12-14(19)10-9-11-20)23-24(7,8)18(4,5)6/h11,14-15H,9-10,12-13H2,1-8H3/t14-,15+/m0/s1.
What are the key properties of tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-oxopropyl)pyrrolidine-1-carboxylate?
tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-oxopropyl)pyrrolidine-1-carboxylate has a molecular weight of 357.60 g/mol, XLogP of not available, 8 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-(3-oxopropyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 57095579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).