3,4-Dichloro-D-phenylalanine

C₉H₉Cl₂NO₂CAS 52794-98-6234.08 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Primary amine

Properties

Molecular formula: C₉H₉Cl₂NO₂
Molar mass: 234.08 g/mol
Exact mass: 233.0010 Da
logP: 1.95Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 3
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

52794-98-6

SMILES

N[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)O

InChIKey

NRCSJHVDTAAISV-MRVPVSSYSA-N

InChI

InChI=1S/C9H9Cl2NO2/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14/h1-3,8H,4,12H2,(H,13,14)/t8-/m1/s1

Weigh it out

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

Names and synonyms

4 names

D-Phenylalanine, 3,4-dichloro-
D-3,4-Dichlorophenylalanine
(2R)-2-Amino-3-(3,4-dichlorophenyl)propanoic acid
(R)-2-Amino-3-(3,4-dichlorophenyl)propanoic acid

Work with 3,4-Dichloro-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

Similar compounds

3-Chloro-L-tyrosine7423-93-077 % similar 4-Chloro-L-phenylalanine14173-39-866 % similar 4-Chloro-dl-phenylalanine7424-00-266 % similar 3-Chloro-D-phenylalanine80126-52-965 % similar 2-Chloro-L-phenylalanine103616-89-363 % similar D-Dopa5796-17-863 % similar L-M-Tyrosine587-33-763 % similar Dopa59-92-763 % similar

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

Same formula

2,4-Dichloro-D-phenylalanine114872-98-9 3-Amino-3-(3,4-dichloro-phenyl)-propionic acid117391-57-8 3,4-Dichloro-L-phenylalanine52794-99-7

Elsewhere

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