chempirical

(-)-N-Acetylphenylalanine

C11H13NO3CAS 10172-89-1207.23 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
170–171 °C
logP
1.66Crippen estimate
Polar surface area
69.9 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
4
Stereocentres
Rin 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
10172-89-1
SMILES
CC(O)=N[C@H](Cc1ccccc1)C(=O)O
InChIKey
CBQJSKKFNMDLON-SNVBAGLBSA-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)/t10-/m1/s1

Weigh it out

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

Names and synonyms

16 names · show all
  • D-Phenylalanine, N-acetyl-
  • Alanine, N-acetyl-3-phenyl-, D-
  • N-Acetyl-D-phenylalanine
  • (R)-N-Acetylphenylalanine
  • (R)-(-)-N-Acetylphenylalanine
  • D-N-Acetylphenylalanine
  • D-(-)-N-Acetylphenylalanine
  • (R)-2-Acetylamino-3-phenylpropionic acid
  • R-2-(Acetylamino)-3-phenylpropanoic acid
  • N-Acetyl-(R)-phenylalanine
  • (-)-2-Acetylamino-3-phenylpropanoic acid
  • (-)-N-Acetyl-D-phenylalanine
  • NSC 523830
  • N-Acetyl-3-phenyl-D-alanine
  • (R)-2-Acetamido-3-phenylpropanoic acid
  • (2R)-2-Acetamido-3-phenylpropanoic acid

Work with (-)-N-Acetylphenylalanine

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-L-phenylalanine2018-61-3Enantiomer N-Acetyl-DL-phenylalanine2901-75-9Stereo not defined

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

PubChem CAS Common Chemistry NIST WebBook