3-Chloro-D-phenylalanine

C₉H₁₀ClNO₂CAS 80126-52-9199.63 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Primary amine

Properties

Molecular formula: C₉H₁₀ClNO₂
Molar mass: 199.63 g/mol
Exact mass: 199.0400 Da
logP: 1.29Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 3
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

80126-52-9

SMILES

N[C@H](Cc1cccc(Cl)c1)C(=O)O

InChIKey

JJDJLFDGCUYZMN-MRVPVSSYSA-N

InChI

InChI=1S/C9H10ClNO2/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m1/s1

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

Names and synonyms

3 names

D-Phenylalanine, 3-chloro-
D-3-Chlorophenylalanine
(2R)-2-Amino-3-(3-chlorophenyl)propanoic acid

Work with 3-Chloro-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

L-M-Tyrosine587-33-771 % similar Dl-M-tyrosine775-06-471 % similar 4-Chloro-dl-phenylalanine7424-00-270 % similar 3-Fluoro-D-phenylalanine110117-84-569 % similar 3-Fluoro-L-phenylalanine19883-77-369 % similar 3-Fluorophenylalanine2629-54-169 % similar 3-Fluorophenylalanine456-88-269 % similar 3-Methylphenylalanine114926-37-368 % similar

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

Same formula

2-Chloro-L-phenylalanine103616-89-3 (S)-3-Amino-3-(4-chloro-phenyl)-propionic acid131690-60-3 (βR)-β-Amino-4-chlorobenzenepropanoic acid131690-61-4 (2R)-2-Amino-3-(4-chlorophenyl)propanoic acid14091-08-8 Methyl (αS)-α-amino-2-chlorobenzeneacetate141109-14-0 Methyl (αR)-α-amino-2-chlorobenzeneacetate141109-16-2 4-Chloro-L-phenylalanine14173-39-8 2-Chloro-N-(4-methoxyphenyl)acetamide22303-36-2

Elsewhere

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