Acetyl-β-alanine
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Acetyl-β-alanine

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Acetyl-β-alanine, also known as 3-(acetylamino)propanoate, belongs to the class of organic compounds known as carboxylic acids. N-Acetyl-beta-alanine is slightly soluble (in water) and a weakly acidic compound (based on its pKa). N-Acetyl-beta-alanine has been primarily detected in saliva.

Category
β−Amino acids
Catalog number
BAT-007554
CAS number
3025-95-4
Molecular Formula
C5H9NO3
Molecular Weight
131.10
Acetyl-β-alanine
IUPAC Name
3-acetamidopropanoic acid
Synonyms
Ac-β-Ala-OH; 3-Acetylamino-propionic acid; N-Acetyl-beta-alanine; N-Acetyl-b-alanine; 3-acetamidopropanoic acid; Ac-beta-Ala-OH; 3-(acetylamino)propanoic acid; beta-Alanine, N-acetyl-; N-Acetyl-ss-alanine; 3-Acetylamino-propionic acid; Acetyl-β-alanine; N-Acetyl-3-aminopropanoic Acid; N-Acetyl-β-alanine; Ac beta Ala OH
Appearance
White to off-white powder
Purity
≥ 99% (TLC)
Density
1.174 g/cm3 (Predicted)
Melting Point
73-88 °C
Boiling Point
392.0±25.0 °C (Predicted)
Storage
Store at 2-8 °C
Application
Abnormal amino acid metbolite formed in patients with isovaleric acidemia (IVA)
InChI
InChI=1S/C5H9NO3/c1-4(7)6-3-2-5(8)9/h2-3H2,1H3,(H,6,7)(H,8,9)
InChI Key
LJLLAWRMBZNPMO-UHFFFAOYSA-N
Canonical SMILES
CC(=O)NCCC(=O)O
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