3,3-Diphenyl-D-alanine

C15H15NO2CAS 149597-91-1241.29 g/mol

Open in Covalent MOL file
OOHH2N
Carboxylic acidPrimary amine

Properties

Molecular formula
C15H15NO2
Molar mass
241.29 g/mol
Exact mass
241.1103 Da
logP
2.23Crippen estimate
Polar surface area
63.3 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.

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Identifiers

CAS number
149597-91-1
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)[C@H](C(=O)O)N
InChIKey
PECGVEGMRUZOML-CQSZACIVSA-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-/m1/s1

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Names and synonyms

1 names
  • Beta-Phenyl-D-phenylalanine

Work with 3,3-Diphenyl-D-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.

Diphenylalanine149597-92-2Enantiomer

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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