4-Iodo-dl-phenylalanine

C₉H₁₀INO₂CAS 14173-41-2291.09 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Primary amine

Properties

Molecular formula: C₉H₁₀INO₂
Molar mass: 291.09 g/mol
Exact mass: 290.9756 Da
logP: 1.25Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 3

Identifiers

CAS number

14173-41-2

SMILES

C1=CC(=CC=C1CC(C(=O)O)N)I

InChIKey

PZNQZSRPDOEBMS-UHFFFAOYSA-N

InChI

InChI=1S/C9H10INO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)

Weigh it out

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

Names and synonyms

1 names

2-Amino-3-(4-iodophenyl)propionic acid

Work with 4-Iodo-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

Similar compounds

D-Tyrosine556-02-571 % similar Dl-tyrosine556-03-671 % similar Tyrosine60-18-471 % similar 4-Amino-dl-phenylalanine2922-41-069 % similar Phenylalanine63-91-268 % similar D-Phenylalanine673-06-368 % similar 4-Fluoro-L-phenylalanine1132-68-967 % similar 4-Bromophenylalanine14091-15-767 % similar

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

Same formula

Ethyl 2-amino-5-iodobenzoate268568-11-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook