N-tert-Butoxycarbonyl-4-iodo-L-phenylalanine

C₁₄H₁₈INO₄CAS 62129-44-6391.21 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₁₄H₁₈INO₄
Molar mass: 391.21 g/mol
Exact mass: 391.0281 Da
logP: 3.02Crippen estimate
Polar surface area: 79.1 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 4
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

62129-44-6

SMILES

CC(C)(C)OC(O)=N[C@@H](Cc1ccc(I)cc1)C(=O)O

InChIKey

JZLZDBGQWRBTHN-NSHDSACASA-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-/m0/s1

Weigh it out

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

Names and synonyms

5 names

L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-4-iodo-
N-[(1,1-Dimethylethoxy)carbonyl]-4-iodo-L-phenylalanine
N-BOC-4-Iodo-L-phenylalanine
N-(tert-Butoxycarbonyl)-p-iodo-L-phenylalanine
(S)-2-(tert-Butoxycarbonylamino)-3-(4-iodophenyl)propanoic acid

Work with N-tert-Butoxycarbonyl-4-iodo-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

Similar compounds

Boc-L-tyrosine3978-80-178 % similar N-[(1,1-Dimethylethoxy)carbonyl]-4-methyl-D-phenylalanine80102-27-877 % similar N-tert-Butoxycarbonyl-D-phenylalanine18942-49-976 % similar 4-Amino-N-[(1,1-dimethylethoxy)carbonyl]-D-phenylalanine164332-89-275 % similar N-(tert-Butoxycarbonyl)-D-4-chlorophenylalanine57292-44-175 % similar (2R)-2-(tert-Butoxycarbonylamino)-3-(4-fluorophenyl)propanoic acid57292-45-275 % similar 4-Cyano-N-[(1,1-dimethylethoxy)carbonyl]-L-phenylalanine131724-45-373 % similar N-[(1,1-Dimethylethoxy)carbonyl]-4-(trifluoromethyl)-L-phenylalanine114873-07-372 % similar

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

Elsewhere

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