structure of 3-{[(tert-Butoxy)carbonyl](propan-2-yl)amino}-2-(4-chlorophenyl)propanoic acid

3-{[(tert-Butoxy)carbonyl](propan-2-yl)amino}-2-(4-chlorophenyl)propanoic acid

CAS No.: 1000985-05-6
M. Wt: 341.83000
M. Fa: C17H24ClNO4
InChI Key: GQWRBNJRKSPGTF-UHFFFAOYSA-N
Appearance: white solid

Names and Identifiers of 1000985-05-6

CAS Number

1000985-05-6

IUPAC Name

2-(4-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]propanoic acid

InChI

InChI=1S/C17H24ClNO4/c1-11(2)19(16(22)23-17(3,4)5)10-14(15(20)21)12-6-8-13(18)9-7-12/h6-9,11,14H,10H2,1-5H3,(H,20,21)

InChIKey

GQWRBNJRKSPGTF-UHFFFAOYSA-N

Canonical SMILES

CC(C)N(CC(C1=CC=C(C=C1)Cl)C(=O)O)C(=O)OC(C)(C)C

Physical and chemical properties of 1000985-05-6

Exact Mass

341.13900

LogP

4.15370

Molecular Formula

C17H24ClNO4

Molecular Weight

341.83000

PSA

66.84000

Safety Information of 1000985-05-6

Pictograms

Signal Word

 Warning

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

Applications of 1000985-05-6

This compound has potential applications in various fields:

  • Pharmaceuticals: As a building block in the synthesis of more complex drugs.
  • Research: In studies focused on amino acid derivatives and their biological implications.

Its unique structure may also allow for specific interactions in biological systems, making it valuable in drug design.

Biological Activity of 1000985-05-6

While specific biological activities of 3-{amino}-2-(4-chlorophenyl)propanoic acid are not extensively documented, compounds with similar structures often exhibit properties such as:

  • Antimicrobial Activity: Many amino acid derivatives show potential as antimicrobial agents.
  • Antitumor Activity: Some related compounds have been studied for their effects on cancer cells.

Further research would be necessary to elucidate the specific biological effects of this compound.