D-4,4'-Biphenylalanine

C₁₅H₁₅NO₂CAS 170080-13-4241.29 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: 2.31Crippen 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

170080-13-4

SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C[C@H](C(=O)O)N

InChIKey

JCZLABDVDPYLRZ-CQSZACIVSA-N

InChI

InChI=1S/C15H15NO2/c16-14(15(17)18)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9,14H,10,16H2,(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

(2R)-2-Amino-3-((1,1'-biphenyl)-4-yl)propanoic acid

Work with D-4,4'-Biphenylalanine

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.

L-4,4'-Biphenylalanine155760-02-4Enantiomer

Similar compounds

DL-Phenylalanine150-30-181 % similar Phenylalanine63-91-281 % similar D-Phenylalanine673-06-381 % similar L-4-Benzoylphenylalanine104504-45-271 % similar D-Tyrosine556-02-569 % similar DL-Tyrosine556-03-669 % similar Tyrosine60-18-469 % similar 4-Amino-DL-phenylalanine2922-41-067 % similar

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

Same formula

3,3-Diphenyl-D-alanine149597-91-1 Diphenylalanine149597-92-2 Ethyl N,N-diphenylcarbamate603-52-1 Mefenamic acid61-68-7

Elsewhere

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