chempirical

3-Bromo-L-phenylalanine

C9H10BrNO2CAS 82311-69-1244.09 g/mol

Open in Covalent MOL file
BrOOHNH2
Aryl halideCarboxylic acidPrimary amine

Properties

Molecular formula
C9H10BrNO2
Molar mass
244.09 g/mol
Exact mass
242.9895 Da
logP
1.40Crippen 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
82311-69-1
SMILES
C1=CC(=CC(=C1)Br)C[C@@H](C(=O)O)N
InChIKey
GDMOHOYNMWWBAU-QMMMGPOBSA-N
InChI
InChI=1S/C9H10BrNO2/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

Weigh it out

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

Work with 3-Bromo-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-Bromo-D-phenylalanine99295-78-0Enantiomer

Similar compounds

L-M-Tyrosine587-33-769 % similar DL-m-Tyrosine775-06-469 % similar (R)-2-Amino-3-(4-bromophenyl)propionic acid62561-74-468 % similar 3-Fluoro-D-phenylalanine110117-84-568 % similar 3-Fluoro-L-phenylalanine19883-77-368 % similar 3-Fluorophenylalanine2629-54-168 % similar 3-Fluorophenylalanine456-88-268 % similar 3-Chloro-L-phenylalanine80126-51-868 % similar

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

Same formula

Methyl 3-amino-5-bromo-2-methylbenzoate1000342-11-9 Dl-beta-(3-bromophenyl)alanine117391-50-1 Ethyl 5-bromo-2-methylpyridine-3-carboxylate129477-21-0 4-Bromophenylalanine14091-15-7 4-Bromo-L-phenylalanine24250-84-8 (2R)-2-Amino-3-(2-bromophenyl)propanoic acid267225-27-4 (S)-3-Amino-3-(3-bromo-phenyl)-propionic acid275826-35-2 (S)-β-Amino-β-(4-bromophenyl)propionic acid275826-36-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook