N-Acetyl-L-alanine

C5H9NO3CAS 97-69-8131.13 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
120–122 °C
Boiling point
100–102 °C (at 0.2 Torr)
logP
0.44Crippen estimate
Polar surface area
69.9 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2
Stereocentres
Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
97-69-8
SMILES
CC(O)=N[C@@H](C)C(=O)O
InChIKey
KTHDTJVBEPMMGL-VKHMYHEASA-N
InChI
InChI=1S/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)/t3-/m0/s1

Weigh it out

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

Names and synonyms

11 names
  • L-Alanine, N-acetyl-
  • Alanine, N-acetyl-, L-
  • Acetylalanine
  • N-Acetyl-(S)-alanine
  • N-Acetylalanine
  • Acetyl-L-alanine
  • L-N-Acetylalanine
  • (S)-N-Acetylalanine
  • (S)-(-)-N-Acetylalanine
  • NSC 186892
  • (2S)-2-Acetamidopropanoic acid

Work with N-Acetyl-L-alanine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

N-Acetyl-D-alanine19436-52-3Enantiomer N-Acetylalanine1115-69-1Stereo not defined

Similar compounds

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 (S)-2-Acetamidopropanamide15962-47-753 % similar N-Acetyl-DL-serine97-14-353 % 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 cis-4-Hydroxy-D-proline2584-71-6 N-Acetyl-beta-alanine3025-95-4 Ethyl N-formylglycinate3154-51-6

Elsewhere

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