N-Boc-3-iodo-L-alanine benzyl ester

C15H20INO4CAS 108957-20-6405.23 g/mol

Open in Covalent MOL file
OONHIOO
Alkyl halideCarbamateEster

Properties

Molecular formula
C15H20INO4
Molar mass
405.23 g/mol
Exact mass
405.0437 Da
logP
3.06Crippen estimate
Polar surface area
64.6 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
5
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
108957-20-6
SMILES
CC(C)(C)OC(=O)N[C@@H](CI)C(=O)OCC1=CC=CC=C1
InChIKey
DDXFSYLOWHQCEK-LBPRGKRZSA-N
InChI
InChI=1S/C15H20INO4/c1-15(2,3)21-14(19)17-12(9-16)13(18)20-10-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,17,19)/t12-/m0/s1

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Work with N-Boc-3-iodo-L-alanine benzyl ester

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-ser-obzl141527-78-876 % similar Boc-ala-obzl51814-54-169 % similar Boc-tyr-obzl19391-35-669 % similar N-Alpha-t-Butyloxycarbonyl-D-glutamic acid benzyl ester34404-30-369 % similar Boc-3-iodo-D-alanine methyl ester170848-34-760 % similar Methyl (2R)-2-(((tert-butoxy)carbonyl)amino)-3-iodopropanoate93267-04-060 % similar Boc-D-aspartic acid 4-benzyl ester51186-58-460 % similar Boc-phe-ome51987-73-660 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Boc-(R)-3-amino-4-(4-iodo-phenyl)-butyric acid269396-71-6 (βS)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]-4-iodobenzenebutanoic acid270065-71-9

Elsewhere

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