3-Chloro-D-phenylalanine

C9H10ClNO2CAS 80126-52-9199.63 g/mol

Open in Covalent MOL file
H2NClOOH
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
Rin SMILES atom order

Hazards

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

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Identifiers

CAS number
80126-52-9
SMILES
N[C@H](Cc1cccc(Cl)c1)C(=O)O
InChIKey
JJDJLFDGCUYZMN-MRVPVSSYSA-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-/m1/s1

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

Names and synonyms

3 names
  • D-Phenylalanine, 3-chloro-
  • D-3-Chlorophenylalanine
  • (2R)-2-Amino-3-(3-chlorophenyl)propanoic acid

Work with 3-Chloro-D-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-L-phenylalanine80126-51-8Enantiomer

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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