N-Benzoyl-DL-phenylalanine

C16H15NO3CAS 2901-76-0269.30 g/mol

Open in Covalent MOL file
OHONHO
Carboxylic acid

Properties

Molecular formula
C16H15NO3
Molar mass
269.30 g/mol
Exact mass
269.1052 Da
Melting point
187 °C
logP
2.69Crippen estimate
Polar surface area
69.9 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
5

Hazards

Danger
Acute Toxic (GHS06)Environmental Hazard (GHS09)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P273, P301+P316, P321, P330, P391, P405, P501

Identifiers

CAS number
2901-76-0
SMILES
O=C(O)C(Cc1ccccc1)N=C(O)c1ccccc1
InChIKey
NPKISZUVEBESJI-UHFFFAOYSA-N
InChI
InChI=1S/C16H15NO3/c18-15(13-9-5-2-6-10-13)17-14(16(19)20)11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,17,18)(H,19,20)

Weigh it out

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

Names and synonyms

11 names
  • 2-Benzamido-3-phenylpropanoic acid
  • Phenylalanine, N-benzoyl-
  • DL-Phenylalanine, N-benzoyl-
  • Alanine, N-benzoyl-3-phenyl-, DL-
  • N-Benzoylphenylalanine
  • DL-2-Benzamido-3-phenylpropionic acid
  • DL-N-Benzoylphenylalanine
  • DL-bz-phenylalanine
  • NSC 96354
  • 2-Benzamido-3-phenylpropanoicacid
  • 3-Phenyl-2-(phenylformamido)propanoic acid

Work with N-Benzoyl-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.

Benzoyl-L-phenylalanine2566-22-5Defined stereoisomer

Similar compounds

(-)-N-Acetylphenylalanine10172-89-168 % similar N-Acetyl-L-phenylalanine2018-61-368 % similar N-Acetyl-DL-phenylalanine2901-75-968 % similar N-Benzoyl-DL-leucine17966-67-567 % similar Glycylphenylalanine3321-03-767 % similar Glycylphenylalanine721-66-467 % similar N-(Chloroacetyl)-3-phenyl-DL-alanine7765-11-965 % similar N-Benzoyl-L-histidine5354-94-964 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

L-4-Benzoylphenylalanine104504-45-2 (S)-o-(((1-Phenylethyl)amino)carbonyl)benzoic acid21752-36-3 4-(2-Methylbenzoylamino)-2-methylbenzoic acid317374-08-6

Elsewhere

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