chempirical

N-Acetylalanine

C5H9NO3CAS 1115-69-1131.13 g/mol

Open in Covalent MOL file
ONHOOH
Carboxylic acid

Properties

Molecular formula
C5H9NO3
Molar mass
131.13 g/mol
Exact mass
131.0582 Da
Melting point
136–137 °C
logP
0.44Crippen estimate
Polar surface area
69.9 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Identifiers

CAS number
1115-69-1
SMILES
CC(O)=NC(C)C(=O)O
InChIKey
KTHDTJVBEPMMGL-UHFFFAOYSA-N
InChI
InChI=1S/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • Alanine, N-acetyl-
  • Alanine, N-acetyl-, DL-
  • N-Acetyl-DL-alanine
  • Acetyl-DL-alanine
  • 2-Acetamidopropionic acid
  • 2-(Acetylamino)propanoic acid
  • NSC 43118
  • 2-Acetamidopropanoic acid

Work with N-Acetylalanine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N-Acetyl-L-alanine97-69-8100 % similar N-Acetyl-D-valine17916-88-060 % similar N-Acetylvaline3067-19-460 % similar Acetylvaline96-81-160 % similar 2-(Acetylamino)butanoic acid7211-57-655 % similar N-Acetyl-L-leucine1188-21-255 % similar Acetylleucine99-15-055 % similar (2S)-2-(Acetylamino)propanamide15962-47-753 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

5-Aminolevulinic acid106-60-5 (S)-Morpholine-3-carboxylic acid106825-79-0 3-Aminotetrahydrofuran-3-carboxylic acid125218-55-5 N-Acetyl-D-alanine19436-52-3 cis-4-Hydroxy-D-proline2584-71-6 Acetyl-β-alanine3025-95-4 Ethyl N-formylglycinate3154-51-6 trans-3-Hydroxy-L-proline4298-08-2

Elsewhere

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