4-Iodo-D-phenylalanine

C₉H₁₀INO₂CAS 62561-75-5291.09 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
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

62561-75-5

SMILES

C1=CC(=CC=C1C[C@H](C(=O)O)N)I

InChIKey

PZNQZSRPDOEBMS-MRVPVSSYSA-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)/t8-/m1/s1

Weigh it out

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

Work with 4-Iodo-D-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

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.

4-Iodophenylalanine24250-85-9Enantiomer 4-Iodo-dl-phenylalanine14173-41-2Stereo not defined

Similar compounds

D-Tyrosine556-02-571 % similar DL-Tyrosine556-03-671 % similar Tyrosine60-18-471 % similar 4-Amino-DL-phenylalanine2922-41-069 % similar 4-Amino-L-phenylalanine943-80-669 % similar DL-Phenylalanine150-30-168 % similar Phenylalanine63-91-268 % similar D-Phenylalanine673-06-368 % 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