structure of (S)-1-Boc-4,4-dimethyl-pyrrolidine-2-carboxylic acid ethyl ester

(S)-1-Boc-4,4-dimethyl-pyrrolidine-2-carboxylic acid ethyl ester

CAS No.: 1001353-86-1
M. Wt: 271.35300
M. Fa: C14H25NO4
InChI Key: ZWNSAGPRRVZFDV-JTQLQIEISA-N
Appearance: Liquid

Names and Identifiers of 1001353-86-1

CAS Number

1001353-86-1

MDL Number

MFCD11501346

IUPAC Name

1-O-tert-butyl 2-O-ethyl (2S)-4,4-dimethylpyrrolidine-1,2-dicarboxylate

InChI

InChI=1S/C14H25NO4/c1-7-18-11(16)10-8-14(5,6)9-15(10)12(17)19-13(2,3)4/h10H,7-9H2,1-6H3/t10-/m0/s1

InChIKey

ZWNSAGPRRVZFDV-JTQLQIEISA-N

Canonical SMILES

CCOC(=O)C1CC(CN1C(=O)OC(C)(C)C)(C)C

Isomeric SMILES

CCOC(=O)[C@@H]1CC(CN1C(=O)OC(C)(C)C)(C)C

UNSPSC Code

12352100

Physical and chemical properties of 1001353-86-1

Exact Mass

271.17800

LogP

2.52300

Molecular Formula

C14H25NO4

Molecular Weight

271.35300

PSA

55.84000

Storage condition

Sealed in dry,Room Temperature

Safety Information of 1001353-86-1

Pictograms

Signal Word

Warning

Safety Data Sheet

Supports customized editing of SDS information and downloading in PDF documents.

Interaction Studies of 1001353-86-1

Studies on this compound have explored its interactions with biological targets:

  • Protein Binding: Investigations into how this compound binds to specific proteins can reveal its potential therapeutic effects.
  • Mechanism of Action: Understanding how it affects viral replication or enzyme activity provides insights into its utility as a drug candidate.

Biological Activity of 1001353-86-1

This compound and its derivatives exhibit notable biological activities, particularly in medicinal chemistry. They have been studied for their potential as:

  • Antiviral Agents: Compounds related to proline derivatives have shown activity against various viruses, including hepatitis C virus.
  • Enzyme Inhibitors: Some derivatives inhibit specific enzymes, making them candidates for drug development in treating diseases involving enzyme dysregulation.

Retrosynthesis analysis of 1001353-86-1

  • Route#1

    Cas:7149-65-7
    Cas:1001353-86-1
  • Route#2

    Cas:24424-99-5
    Cas:1001353-86-1