methyl (2S,4R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoro-5-oxopyrrolidine-2-carboxylate

C14H26FNO4Si — CID 142327858

IUPACmethyl (2S,4R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoro-5-oxopyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1C[C@@H](F)C(=O)N1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26FNO4Si/c1-14(2,3)21(5,6)20-8-7-16-11(13(18)19-4)9-10(15)12(16)17/h10-11H,7-9H2,1-6H3/t10-,11+/m1/s1
InChIKeyMZZZQYNCVBIBMN-MNOVXSKESA-N
MW319.45 g/mol
LogP2.12
Rot. Bonds5

About methyl (2S,4R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoro-5-oxopyrrolidine-2-carboxylate

methyl (2S,4R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoro-5-oxopyrrolidine-2-carboxylate (PubChem CID 142327858) has the molecular formula C14H26FNO4Si and a molecular weight of 319.45 g/mol. Its IUPAC name is methyl (2S,4R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoro-5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,4R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoro-5-oxopyrrolidine-2-carboxylate
PubChem CID142327858
Molecular FormulaC14H26FNO4Si
Molecular Weight319.45 g/mol
Exact Mass319.16
IUPAC Namemethyl (2S,4R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoro-5-oxopyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1C[C@@H](F)C(=O)N1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26FNO4Si/c1-14(2,3)21(5,6)20-8-7-16-11(13(18)19-4)9-10(15)12(16)17/h10-11H,7-9H2,1-6H3/t10-,11+/m1/s1
InChIKeyMZZZQYNCVBIBMN-MNOVXSKESA-N
XLogP2.12
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (2S,4R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoro-5-oxopyrrolidine-2-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 methyl (2S,4R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoro-5-oxopyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S,4R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoro-5-oxopyrrolidine-2-carboxylate (CID 142327858) is methyl (2S,4R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoro-5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S,4R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoro-5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S,4R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoro-5-oxopyrrolidine-2-carboxylate is COC(=O)[C@@H]1C[C@@H](F)C(=O)N1CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (2S,4R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoro-5-oxopyrrolidine-2-carboxylate?
The InChIKey is MZZZQYNCVBIBMN-MNOVXSKESA-N. The full InChI is InChI=1S/C14H26FNO4Si/c1-14(2,3)21(5,6)20-8-7-16-11(13(18)19-4)9-10(15)12(16)17/h10-11H,7-9H2,1-6H3/t10-,11+/m1/s1.
What are the key properties of methyl (2S,4R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoro-5-oxopyrrolidine-2-carboxylate?
methyl (2S,4R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoro-5-oxopyrrolidine-2-carboxylate has a molecular weight of 319.45 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,4R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoro-5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 142327858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).