chempirical

3-Chloro-L-phenylalanine

C9H10ClNO2CAS 80126-51-8199.63 g/mol

Open in Covalent MOL file
ClOOHNH2
Aryl halideCarboxylic acidPrimary 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 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
80126-51-8
SMILES
C1=CC(=CC(=C1)Cl)C[C@@H](C(=O)O)N
InChIKey
JJDJLFDGCUYZMN-QMMMGPOBSA-N
InChI
InChI=1S/C9H10ClNO2/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1

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Names and synonyms

1 names
  • L-3-Chlorophenylalanine

Work with 3-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.

3-Chloro-D-phenylalanine80126-52-9Enantiomer

Similar compounds

L-M-Tyrosine587-33-771 % similar DL-m-Tyrosine775-06-471 % similar 4-Chloro-DL-phenylalanine7424-00-270 % similar 3-Fluoro-D-phenylalanine110117-84-569 % similar 3-Fluoro-L-phenylalanine19883-77-369 % similar 3-Fluorophenylalanine2629-54-169 % similar 3-Fluorophenylalanine456-88-269 % similar 3-Methylphenylalanine114926-37-368 % 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 (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

Elsewhere

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