(2R)-2-Amino-3-(4-chlorophenyl)propanoic acid

C₉H₁₀ClNO₂CAS 14091-08-8199.63 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

14091-08-8

SMILES

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

InChIKey

NIGWMJHCCYYCSF-MRVPVSSYSA-N

InChI

InChI=1S/C9H10ClNO2/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

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

Names and synonyms

1 names

D-4-Chlorophenylalanine

Work with (2R)-2-Amino-3-(4-chlorophenyl)propanoic acid

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

4-Chloro-dl-phenylalanine7424-00-2100 % similar D-Tyrosine556-02-571 % similar Dl-tyrosine556-03-671 % similar Tyrosine60-18-471 % similar 3-Chloro-D-phenylalanine80126-52-970 % similar 4-Amino-dl-phenylalanine2922-41-069 % similar 4-Amino-L-phenylalanine943-80-669 % similar Phenylalanine63-91-268 % 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 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 (R)-3-Amino-3-(3-chlorophenyl)propanoic acid262429-49-2

Elsewhere

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