2-(2-Chlorophenyl)glycine

C₈H₈ClNO₂CAS 141196-64-7185.61 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
logP: 1.42Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

Identifiers

CAS number

141196-64-7

SMILES

C1=CC=C(C(=C1)C(C(=O)O)N)Cl

InChIKey

LMIZLNPFTRQPSF-UHFFFAOYSA-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)

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

Names and synonyms

1 names

Dl-2-(2-chlorophenyl)glycine

Work with 2-(2-Chlorophenyl)glycine

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

(-)-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 α-Bromo-2-chlorobenzeneacetic acid141109-25-361 % similar (2-Fluorophenyl)glycine2343-27-361 % similar α-Bromo-2-chlorobenzeneacetic acid29270-30-261 % similar Methyl (αS)-α-amino-2-chlorobenzeneacetate141109-14-056 % similar Methyl (αR)-α-amino-2-chlorobenzeneacetate141109-16-256 % similar

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

Same formula

(αS)-α-Amino-2-chlorobenzeneacetic acid141315-50-6 Ethyl chloronicotinate1452-94-4 2-Amino-5-chloro-3-methylbenzoic acid20776-67-4 Ethyl 6-chloronicotinate49608-01-7 Methyl 2-amino-5-chlorobenzoate5202-89-1 Methyl 2-amino-4-chlorobenzoate5900-58-3 1-(Chloromethyl)-2-methyl-3-nitrobenzene60468-54-4 α-Amino-4-chlorobenzeneacetic acid6212-33-5

Elsewhere

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