chempirical

(S)-2-Acetamidopropanamide

C5H10N2O2CAS 15962-47-7130.15 g/mol

Open in Covalent MOL file
ONHNH2O
Amide

Properties

Molecular formula
C5H10N2O2
Molar mass
130.15 g/mol
Exact mass
130.0742 Da
logP
0.89Crippen estimate
Polar surface area
76.7 Ų
H-bond donors / acceptors
3 / 2
Rotatable bonds
2
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
15962-47-7
SMILES
CC(O)=N[C@@H](C)C(=N)O
InChIKey
DVOVBGJJSFSOPZ-VKHMYHEASA-N
InChI
InChI=1S/C5H10N2O2/c1-3(5(6)9)7-4(2)8/h3H,1-2H3,(H2,6,9)(H,7,8)/t3-/m0/s1

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Names and synonyms

9 names
  • (2S)-2-(Acetylamino)propanamide
  • Propanamide, 2-(acetylamino)-, (2S)-
  • Propionamide, 2-acetamido-, L-
  • Propanamide, 2-(acetylamino)-, (S)-
  • N-Acetyl-L-alaninamide
  • Acetylalaninamide
  • N-Acetyl-L-alanine amide
  • NSC 186893
  • (2S)-2-Acetamidopropanamide

Work with (S)-2-Acetamidopropanamide

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-Acetylalanine1115-69-153 % similar N-Acetyl-D-alanine19436-52-353 % similar N-Acetyl-L-alanine97-69-853 % similar N-Acetylcysteine amide38520-57-952 % similar N-Acetyl-L-tyrosinamide1948-71-641 % similar Isobutyramide563-83-741 % similar Lactamide2043-43-838 % similar N-Acetyl-D-valine17916-88-037 % similar

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

Same formula

(S)-Piperazine-2-carboxylic acid147650-70-2 2,4-Pentanedione oxime2157-56-4 (R)-Piperazine-2-carboxylic acid31321-68-3 1-(2-Hydroxyethyl)-2-imidazolidinone3699-54-5

Elsewhere

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