(2S)-2-Amino-2-(2-chlorophenyl)acetic acid

C₈H₈ClNO₂CAS 141315-50-6185.61 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Primary amine

Properties

Molecular formula: C₈H₈ClNO₂
Molar mass: 185.61 g/mol
Exact mass: 185.0244 Da
Melting point: 184.4–185.7 °C
logP: 1.42Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2
Stereocentres: Sin SMILES atom order

Hazards

Warning

H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation50% of notifiers
H412 Harmful to aquatic life with long lasting effects25% of notifiers
H413 May cause long lasting harmful effects to aquatic life50% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

141315-50-6

SMILES

N[C@H](C(=O)O)c1ccccc1Cl

InChIKey

LMIZLNPFTRQPSF-ZETCQYMHSA-N

InChI

InChI=1S/C8H8ClNO2/c9-6-4-2-1-3-5(6)7(10)8(11)12/h1-4,7H,10H2,(H,11,12)/t7-/m0/s1

Weigh it out

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

Names and synonyms

8 names

(αS)-α-Amino-2-chlorobenzeneacetic acid
Benzeneacetic acid, α-amino-2-chloro-, (αS)-
Benzeneacetic acid, α-amino-2-chloro-, (S)-
L-(o-Chlorophenyl)glycine
(S)-2-Chlorophenylglycine
(S)-2-Amino-2-(2-chlorophenyl)aceticacid
(S)-2-Amino-2-(2-chlorophenyl)acetic acid
(2S)-2-Azaniumyl-2-(2-chlorophenyl)acetate

Work with (2S)-2-Amino-2-(2-chlorophenyl)acetic 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

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.

D-(+)-(2-Chlorophenyl)glycine86169-24-6Enantiomer 2-(2-Chlorophenyl)glycine141196-64-7Stereo not defined 2-(2-Chlorophenyl)glycine88744-36-9Stereo not defined

Similar compounds

2-Chloromandelic acid10421-85-963 % similar (-)-2-Chloromandelic acid52950-18-263 % similar (S)-2-Chloromandelic acid52950-19-363 % similar Benzeneacetic acid, α-amino-2-chloro-, methyl ester, (αS)-, (2R,3R)-2,3-dihydroxybutanedioate (1:1)141109-15-161 % similar Alpha-Bromo-2-chlorobenzeneacetic acid141109-25-361 % similar (2-Fluorophenyl)glycine2343-27-361 % similar α-Bromo-2-chlorobenzeneacetic acid29270-30-261 % similar Methyl (alphaS)-alpha-amino-2-chlorobenzeneacetate141109-14-056 % similar

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

Same formula

Ethyl chloronicotinate1452-94-4 2-Amino-5-chloro-3-methylbenzoic acid20776-67-4 Ethyl 6-chloropicolinate21190-89-6 Methyl 2-Chloro-6-methylisonicotinate3998-90-1 Methyl 3-amino-4-chlorobenzoate40872-87-5 Methyl-5-amino-2-chlorobenzoate42122-75-8 Methyl 4-amino-2-chlorobenzoate46004-37-9

Elsewhere

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