(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

Hazards

Danger

H301 Toxic if swallowed100% of notifiers
H317 May cause an allergic skin reaction100% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P272, P280, P301+P316, P302+P352, P321, P330, P333+P317, P362+P364, P405, P501

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

Weigh it out

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

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.

4-Chloro-L-phenylalanine14173-39-8Enantiomer 4-Chloro-DL-phenylalanine7424-00-2Stereo not defined 4-Chloro-D-phenylalanine hydrochloride147065-05-2Salt

Similar compounds

D-Tyrosine556-02-571 % similar DL-Tyrosine556-03-671 % similar Tyrosine60-18-471 % similar 3-Chloro-L-phenylalanine80126-51-870 % similar 3-Chloro-D-phenylalanine80126-52-970 % similar p-Amino-DL-phenylalanine hydrate2922-41-069 % similar 4-Amino-L-phenylalanine943-80-669 % similar DL-Phenylalanine150-30-168 % 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 (alphaS)-alpha-amino-2-chlorobenzeneacetate141109-14-0 Methyl (2R)-2-amino-2-(2-chlorophenyl)acetate141109-16-2 3-Amino-3-(4-chlorophenyl)propionic acid19947-39-8 2-Chloro-N-(4-methoxyphenyl)acetamide22303-36-2

Elsewhere

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