chempirical

Fmoc-L-leucinol

C21H25NO3CAS 139551-83-0339.44 g/mol

Open in Covalent MOL file
HONHOO
AlcoholCarbamate

Properties

Molecular formula
C21H25NO3
Molar mass
339.44 g/mol
Exact mass
339.1834 Da
logP
3.93Crippen estimate
Polar surface area
58.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
6
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
139551-83-0
SMILES
CC(C)C[C@@H](CO)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChIKey
WXMGVJAOLIDKGZ-HNNXBMFYSA-N
InChI
InChI=1S/C21H25NO3/c1-14(2)11-15(12-23)22-21(24)25-13-20-18-9-5-3-7-16(18)17-8-4-6-10-19(17)20/h3-10,14-15,20,23H,11-13H2,1-2H3,(H,22,24)/t15-/m0/s1

Weigh it out

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

Work with Fmoc-L-leucinol

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

Fmoc-L-beta-homoleucine193887-44-474 % similar Fmoc-phenylalaninol129397-83-771 % similar Fmoc-L-alaninol161529-13-170 % similar (2R)-2-(((9H-Fluoren-9-ylmethoxy)carbonyl)amino)-4-methylpentanoic acid114360-54-267 % similar N-Fmoc-L-threonol176380-53-365 % similar Fmoc-D-threoninol252049-02-865 % similar Fmoc-D-ser-oh116861-26-861 % similar Fmoc-L-statine158257-40-060 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook