chempirical

Boc-4-iodo-D-phenylalanine

C14H18INO4CAS 176199-35-2391.21 g/mol

Open in Covalent MOL file
OONHIOHO
Aryl halideCarbamateCarboxylic acid

Properties

Molecular formula
C14H18INO4
Molar mass
391.21 g/mol
Exact mass
391.0281 Da
logP
2.81Crippen estimate
Polar surface area
75.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
4
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
176199-35-2
SMILES
CC(C)(C)OC(=O)N[C@H](CC1=CC=C(C=C1)I)C(=O)O
InChIKey
JZLZDBGQWRBTHN-LLVKDONJSA-N
InChI
InChI=1S/C14H18INO4/c1-14(2,3)20-13(19)16-11(12(17)18)8-9-4-6-10(15)7-5-9/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m1/s1

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

Names and synonyms

1 names
  • Boc-D-4-iodophenylalanine

Work with Boc-4-iodo-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

Similar compounds

Boc-D-4,4'-biphenylalanine128779-47-573 % similar Boc-L-4,4'-biphenylalanine147923-08-873 % similar Boc-D-bpa-oh117666-94-169 % similar Boc-L-3,4-difluorophe198474-90-767 % similar Boc-3-methyl-L-phenylalanine114873-06-264 % similar (R)-2-((tert-Butoxycarbonyl)amino)-3-(m-tolyl)propanoic acid114873-14-264 % similar Boc-homo-L-tyrosine198473-94-863 % similar Boc-D-3,4,5-trifluorophenylalanine205445-55-262 % similar

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

Same formula

N-tert-Butoxycarbonyl-4-iodo-L-phenylalanine62129-44-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook