chempirical

N-Acetyl-DL-phenylalanine

C11H13NO3CAS 2901-75-9207.23 g/mol

Open in Covalent MOL file
ONHOHO
Carboxylic acid

Properties

Molecular formula
C11H13NO3
Molar mass
207.23 g/mol
Exact mass
207.0895 Da
Melting point
146 °C
logP
1.66Crippen estimate
Polar surface area
69.9 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
4

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
2901-75-9
SMILES
CC(O)=NC(Cc1ccccc1)C(=O)O
InChIKey
CBQJSKKFNMDLON-UHFFFAOYSA-N
InChI
InChI=1S/C11H13NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)

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Names and synonyms

14 names · show all
  • Phenylalanine, N-acetyl-
  • Alanine, N-acetyl-3-phenyl-, DL-
  • DL-Phenylalanine, N-acetyl-
  • N-Acetylphenylalanine
  • N-Acetyl-3-phenyl-DL-alanine
  • DL-2-Acetamido-3-phenylpropionic acid
  • DL-N-Acetyl-3-phenylalanine
  • DL-N-Acetylphenylalanine
  • (±)-N-Acetylphenylalanine
  • Afalanine
  • NSC 43242
  • 2-Acetamido-3-phenylpropanoic acid
  • Phenylalanine, N-(1,2-dioxopropyl)-
  • 2-Acetylamino-3-phenyl-propionic acid

Work with N-Acetyl-DL-phenylalanine

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-Acetylphenylalanine10172-89-1Defined stereoisomer N-Acetyl-L-phenylalanine2018-61-3Defined stereoisomer

Similar compounds

N-Acetyl-DL-tyrosine2901-77-176 % similar N-Acetyl-L-tyrosine537-55-376 % similar N-Acetyl-4-fluorophenylalanine17481-06-073 % similar N-Acetyl-3-fluorophenylalanine17607-28-271 % similar (αR)-α-(Acetylamino)-2-naphthalenepropanoic acid37440-01-071 % similar Benzylmercapturic acid19542-77-969 % similar Benzoyl-L-phenylalanine2566-22-568 % similar N-Benzoyl-DL-phenylalanine2901-76-068 % similar

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

Same formula

Methyl (2E)-(methoxyimino)(2-methylphenyl)acetate120974-97-2 Benzyl 3-hydroxyazetidine-1-carboxylate128117-22-6 3,4,5-Trimethoxyphenylacetonitrile13338-63-1 Methylone186028-79-5 4-Benzyl-2-hydroxy-morpholin-3-one287930-73-8 2-Morpholinobenzoic acid42106-48-9

Elsewhere

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