Crystal structure and spectroscopic analysis of the compatible solute nγ-acetyl-l-2,4-diaminobutyric acid

Lea Martin, Wilhelm Klein, Sebastian P. Schwaminger, Thomas F. Fässler, Sonja Berensmeier

Research output: Contribution to journalArticlepeer-review

1 Scopus citations

Abstract

Compatible solutes are low molecular weight, highly water-soluble and neutrally net-charged molecules with various protective functionalities that accumulate and are produced in microorganisms. Their multi-purpose functionalities, also adaptable in vitro, make them potential components in healthcare and cosmetic products. One promising but insufficiently examined representative of this molecule class is Nγ-acetyl-L-2,4-diaminobutyric acid (γ-NADA), the metabolic precursor of ectoine. Here, we demonstrate the crystallization ability of γ-NADA by using cooling crystallization in aqueous solvents and find that it forms rod-shaped crystals. According to a single crystal structure determination, γ-NADA is orthorhombic with space group P21 21 21 and a = 5.3647(1), b = 8.3652(2), c = 16.9149(5) Å, Z = 4, R1 = 3.48%, wR2 = 7.33% (all data). Additionally, γ-NADA is analyzed via Raman, IR,1 H, and13 C NMR spectroscopy.

Original languageEnglish
Article number1136
Pages (from-to)1-11
Number of pages11
JournalCrystals
Volume10
Issue number12
DOIs
StatePublished - Dec 2020

Keywords

  • (2S)-4-acetamido-2-aminobutanoic acid
  • Amino acid
  • Compatible solute
  • Crystal structure
  • Crystallization
  • Infrared spectroscopy
  • NADA
  • Raman
  • Small molecule

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