(R)-Methyl 2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-iodopropanoate

C19H18INO4CAS 156017-42-4451.26 g/mol

Open in Covalent MOL file
OOINHOO
Alkyl halideCarbamateEster

Properties

Molecular formula
C19H18INO4
Molar mass
451.26 g/mol
Exact mass
451.0281 Da
logP
3.50Crippen estimate
Polar surface area
64.6 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
5
Stereocentres
Rin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
156017-42-4
SMILES
COC(=O)[C@H](CI)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChIKey
CWUVRMHOLORRBM-KRWDZBQOSA-N
InChI
InChI=1S/C19H18INO4/c1-24-18(22)17(10-20)21-19(23)25-11-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,16-17H,10-11H2,1H3,(H,21,23)/t17-/m0/s1

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Names and synonyms

1 names
  • N-Fmoc-3-iodo-L-alanine methyl ester

Work with (R)-Methyl 2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-iodopropanoate

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

(S)-Methyl 2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-hydroxypropanoate82911-78-276 % similar Nalpha-fmoc-L-serine tert-butyl ester110797-35-856 % similar (2S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)butanoic acid135112-27-556 % similar Fmoc-D-abu-oh170642-27-056 % similar Fmoc-L-norvaline135112-28-655 % similar (2R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)pentanoic acid144701-24-655 % similar Boc-3-iodo-D-alanine methyl ester170848-34-754 % similar Methyl (2R)-2-(((tert-butoxy)carbonyl)amino)-3-iodopropanoate93267-04-054 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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