2-Chloro-L-phenylalanine

C₉H₁₀ClNO₂CAS 103616-89-3199.63 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: Sin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

103616-89-3

SMILES

N[C@@H](Cc1ccccc1Cl)C(=O)O

InChIKey

CVZZNRXMDCOHBG-QMMMGPOBSA-N

InChI

InChI=1S/C9H10ClNO2/c10-7-4-2-1-3-6(7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1

Weigh it out

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

Names and synonyms

6 names

L-Phenylalanine, 2-chloro-
o-Chloro-L-phenylalanine
L-o-Chlorophenylalanine
L-2-Chlorophenylalanine
(2S)-2-Amino-3-(2-chlorophenyl)propanoic acid
(S)-2-Amino-3-(2-chlorophenyl)propanoicacid

Work with 2-Chloro-L-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.

2-Chloro-D-phenylalanine80126-50-7Enantiomer

Similar compounds

2,4-Dichloro-D-phenylalanine114872-98-972 % similar Dl-3-(1-naphthyl)alanine28095-56-968 % similar L-1-Naphthylalanine55516-54-668 % similar D-1-Naphthylalanine78306-92-068 % similar (±)-O-Tyrosine2370-61-866 % similar (2R)-2-Amino-3-(2-bromophenyl)propanoic acid267225-27-466 % similar 2-Bromophenylalanine42538-40-966 % similar 2-Fluoro-L-phenylalanine19883-78-464 % similar

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

Same formula

(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 (alphaS)-alpha-amino-2-chlorobenzeneacetate141109-14-0 Methyl (2R)-2-amino-2-(2-chlorophenyl)acetate141109-16-2 4-Chloro-L-phenylalanine14173-39-8 3-Amino-3-(4-chlorophenyl)propionic acid19947-39-8 2-Chloro-N-(4-methoxyphenyl)acetamide22303-36-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook