chempirical

Diphenylalanine

C15H15NO2CAS 149597-92-2241.29 g/mol

Open in Covalent MOL file
NH2OHO
Carboxylic acidPrimary amine

Properties

Molecular formula
C15H15NO2
Molar mass
241.29 g/mol
Exact mass
241.1103 Da
Melting point
234–240 °C
logP
2.23Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
4
Stereocentres
Sin SMILES atom order

Hazards

Danger
Acute Toxic (GHS06)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
149597-92-2
SMILES
N[C@H](C(=O)O)C(c1ccccc1)c1ccccc1
InChIKey
PECGVEGMRUZOML-AWEZNQCLSA-N
InChI
InChI=1S/C15H15NO2/c16-14(15(17)18)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H,16H2,(H,17,18)/t14-/m0/s1

Weigh it out

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

Names and synonyms

7 names
  • L-Diphenylalanine
  • L-Phenylalanine, β-phenyl-
  • β-Phenyl-L-phenylalanine
  • L-3,3-Diphenylalanine
  • (2S)-2-Azaniumyl-3,3-diphenylpropanoate
  • (S)-2-Amino-3,3-diphenylpropanoic acid
  • Beta-Phenyl-L-phenylalanine

Work with Diphenylalanine

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.

3,3-Diphenyl-D-alanine149597-91-1Enantiomer

Similar compounds

Phenylglycine2835-06-561 % similar L-Phenylglycine2935-35-561 % similar DL-Phenylglycine69-91-061 % similar (-)-Phenylglycine875-74-161 % similar Diphenylacetic acid117-34-057 % similar Phenylmalonic acid2613-89-057 % similar (2R,3S)-3-Phenylisoserine136561-53-054 % similar (S)-Mandelic acid17199-29-053 % similar

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

Same formula

L-4,4'-Biphenylalanine155760-02-4 D-4,4'-Biphenylalanine170080-13-4 Ethyl N,N-diphenylcarbamate603-52-1 Mefenamic acid61-68-7

Elsewhere

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