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

C₁₉H₁₈INO₄CAS 156017-42-4451.26 g/mol

Open in Covalent MOL file

Alkyl halide Carbamate Ester

Properties

Molecular formula: C₁₉H₁₈INO₄
Molar mass: 451.26 g/mol
Exact mass: 451.0281 Da
logP: 3.50Crippen estimate
Polar surface area: 64.6 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 5
Stereocentres: Rin SMILES atom order

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

Weigh it out

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

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

Nalpha-fmoc-L-serine tert-butyl ester110797-35-856 % similar Fmoc-D-ser-oh116861-26-854 % similar Fmoc-D-asn-OH108321-39-754 % similar (2R)-2-(((9H-Fluoren-9-ylmethoxy)carbonyl)amino)-4-methylpentanoic acid114360-54-254 % similar (S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(tert-butoxy)-4-oxobutanoic acid129460-09-953 % similar Fmoc-D-nle-oh112883-41-753 % similar Fmoc-val-osu130878-68-153 % similar Fmoc-L-aspartic acid119062-05-452 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook