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

C21H33NO4Si — CID 15671519

IUPACbenzyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-oxopropyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H](CCC=O)N(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C21H33NO4Si/c1-21(2,3)27(4,5)26-19-14-18(12-9-13-23)22(15-19)20(24)25-16-17-10-7-6-8-11-17/h6-8,10-11,13,18-19H,9,12,14-16H2,1-5H3/t18-,19-/m1/s1
InChIKeyDJQLXEGFQCAIJY-RTBURBONSA-N
MW391.58 g/mol
LogP4.77
Rot. Bonds7

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

benzyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-oxopropyl)pyrrolidine-1-carboxylate (PubChem CID 15671519) has the molecular formula C21H33NO4Si and a molecular weight of 391.58 g/mol. Its IUPAC name is benzyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-oxopropyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-oxopropyl)pyrrolidine-1-carboxylate
PubChem CID15671519
Molecular FormulaC21H33NO4Si
Molecular Weight391.58 g/mol
Exact Mass391.22
IUPAC Namebenzyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-oxopropyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H](CCC=O)N(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C21H33NO4Si/c1-21(2,3)27(4,5)26-19-14-18(12-9-13-23)22(15-19)20(24)25-16-17-10-7-6-8-11-17/h6-8,10-11,13,18-19H,9,12,14-16H2,1-5H3/t18-,19-/m1/s1
InChIKeyDJQLXEGFQCAIJY-RTBURBONSA-N
XLogP4.77
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.58
LogP ≤ 54.77
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'}

Analyze benzyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-oxopropyl)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 benzyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-oxopropyl)pyrrolidine-1-carboxylate?
The IUPAC name of benzyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-oxopropyl)pyrrolidine-1-carboxylate (CID 15671519) is benzyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-oxopropyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-oxopropyl)pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-oxopropyl)pyrrolidine-1-carboxylate is CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H](CCC=O)N(C(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-oxopropyl)pyrrolidine-1-carboxylate?
The InChIKey is DJQLXEGFQCAIJY-RTBURBONSA-N. The full InChI is InChI=1S/C21H33NO4Si/c1-21(2,3)27(4,5)26-19-14-18(12-9-13-23)22(15-19)20(24)25-16-17-10-7-6-8-11-17/h6-8,10-11,13,18-19H,9,12,14-16H2,1-5H3/t18-,19-/m1/s1.
What are the key properties of benzyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-oxopropyl)pyrrolidine-1-carboxylate?
benzyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-oxopropyl)pyrrolidine-1-carboxylate has a molecular weight of 391.58 g/mol, XLogP of 4.77, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-oxopropyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 15671519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).