chempirical

Boc-3-bromo-D-phenylalanine

C14H18BrNO4CAS 261360-77-4344.21 g/mol

Open in Covalent MOL file
OONHBrOHO
Aryl halideCarboxylic acid

Properties

Molecular formula
C14H18BrNO4
Molar mass
344.21 g/mol
Exact mass
343.0419 Da
logP
3.17Crippen estimate
Polar surface area
79.1 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
4
Stereocentres
Rin 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
261360-77-4
SMILES
CC(C)(C)OC(O)=N[C@H](Cc1cccc(Br)c1)C(=O)O
InChIKey
FBUDYESOPLBQIR-LLVKDONJSA-N
InChI
InChI=1S/C14H18BrNO4/c1-14(2,3)20-13(19)16-11(12(17)18)8-9-5-4-6-10(15)7-9/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m1/s1

Weigh it out

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

Names and synonyms

5 names
  • 3-Bromo-N-[(1,1-dimethylethoxy)carbonyl]-D-phenylalanine
  • D-Phenylalanine, 3-bromo-N-[(1,1-dimethylethoxy)carbonyl]-
  • N-(tert-Butoxycarbonyl)-D-3-bromophenylalanine
  • (R)-2-(tert-Butoxycarbonyl)amino-3-(3-bromophenyl)propanoic acid
  • (R)-N-Boc-3-BromophenyLalanine

Work with Boc-3-bromo-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.

Boc-L-3-bromophenylalanine82278-73-7Enantiomer

Similar compounds

N-((1,1-Dimethylethoxy)carbonyl)-3-fluoro-L-phenylalanine114873-01-775 % similar Boc-3-chloro-L-phenylalanine114873-03-975 % similar N-[(1,1-Dimethylethoxy)carbonyl]-3-fluoro-D-phenylalanine114873-11-975 % similar Boc-L-phenylalanine13734-34-473 % similar N-tert-Butoxycarbonyl-D-phenylalanine18942-49-973 % similar 3-Cyano-N-[(1,1-dimethylethoxy)carbonyl]-L-phenylalanine131980-30-871 % similar N-[(1,1-Dimethylethoxy)carbonyl]-3-(trifluoromethyl)-L-phenylalanine142995-31-171 % similar Boc-D-phe(3-CN)-OH205445-56-371 % similar

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

Same formula

(2S)-3-(2-Bromophenyl)-2-(((tert-butoxy)carbonyl)amino)propanoic acid261165-02-0 (βS)-4-Bromo-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenepropanoic acid261165-06-4 (S)-N-Boc-4-bromophenylalanine62129-39-9

Elsewhere

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