tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(5-oxopyrrolidin-3-yl)pyrrolidine-1-carboxylate

C19H36N2O4Si — CID 19918108

IUPACtert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(5-oxopyrrolidin-3-yl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(O[Si](C)(C)C(C)(C)C)CC1C1CNC(=O)C1
InChIInChI=1S/C19H36N2O4Si/c1-18(2,3)24-17(23)21-12-14(25-26(7,8)19(4,5)6)10-15(21)13-9-16(22)20-11-13/h13-15H,9-12H2,1-8H3,(H,20,22)
InChIKeyVPMITGSTXZDSGY-UHFFFAOYSA-N
MW384.59 g/mol
LogP3.52
Rot. Bonds3

About tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(5-oxopyrrolidin-3-yl)pyrrolidine-1-carboxylate

tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(5-oxopyrrolidin-3-yl)pyrrolidine-1-carboxylate (PubChem CID 19918108) has the molecular formula C19H36N2O4Si and a molecular weight of 384.59 g/mol. Its IUPAC name is tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(5-oxopyrrolidin-3-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(5-oxopyrrolidin-3-yl)pyrrolidine-1-carboxylate
PubChem CID19918108
Molecular FormulaC19H36N2O4Si
Molecular Weight384.59 g/mol
Exact Mass384.24
IUPAC Nametert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(5-oxopyrrolidin-3-yl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(O[Si](C)(C)C(C)(C)C)CC1C1CNC(=O)C1
InChIInChI=1S/C19H36N2O4Si/c1-18(2,3)24-17(23)21-12-14(25-26(7,8)19(4,5)6)10-15(21)13-9-16(22)20-11-13/h13-15H,9-12H2,1-8H3,(H,20,22)
InChIKeyVPMITGSTXZDSGY-UHFFFAOYSA-N
XLogP3.52
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.59
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(5-oxopyrrolidin-3-yl)pyrrolidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(5-oxopyrrolidin-3-yl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(5-oxopyrrolidin-3-yl)pyrrolidine-1-carboxylate (CID 19918108) is tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(5-oxopyrrolidin-3-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(5-oxopyrrolidin-3-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(5-oxopyrrolidin-3-yl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(O[Si](C)(C)C(C)(C)C)CC1C1CNC(=O)C1.
What is the InChIKey of tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(5-oxopyrrolidin-3-yl)pyrrolidine-1-carboxylate?
The InChIKey is VPMITGSTXZDSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O4Si/c1-18(2,3)24-17(23)21-12-14(25-26(7,8)19(4,5)6)10-15(21)13-9-16(22)20-11-13/h13-15H,9-12H2,1-8H3,(H,20,22).
What are the key properties of tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(5-oxopyrrolidin-3-yl)pyrrolidine-1-carboxylate?
tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(5-oxopyrrolidin-3-yl)pyrrolidine-1-carboxylate has a molecular weight of 384.59 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(5-oxopyrrolidin-3-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 19918108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).