3,3-Diphenyl-D-alanine

C₁₅H₁₅NO₂CAS 149597-91-1241.29 g/mol

Open in Covalent MOL file

Carboxylic acid Primary 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 Å²
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

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

Weigh it out

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

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

(-)-Phenylglycine875-74-161 % similar (-)-Mandelic acid611-71-253 % similar (-)-2-Phenylpropionic acid7782-26-552 % similar (-)-Methoxyphenylacetic acid3966-32-347 % similar (-)-3-Amino-3-phenylpropanoic acid40856-44-847 % similar (-)-2-Phenylbutyric acid938-79-447 % similar (-)-O-Acetylmandelic acid51019-43-344 % similar (-)-3-Phenyllactic acid20312-36-141 % 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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