chempirical

N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-alanine

C19H19NO4CAS 84000-07-7325.36 g/mol

Open in Covalent MOL file
OOHNOO
CarbamateCarboxylic acid

Properties

Molecular formula
C19H19NO4
Molar mass
325.36 g/mol
Exact mass
325.1314 Da
Melting point
140–142 °C
logP
3.34Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
84000-07-7
SMILES
C[C@@H](C(=O)O)N(C)C(=O)OCC1c2ccccc2-c2ccccc21
InChIKey
JOFHWKQIQLPZTC-LBPRGKRZSA-N
InChI
InChI=1S/C19H19NO4/c1-12(18(21)22)20(2)19(23)24-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,12,17H,11H2,1-2H3,(H,21,22)/t12-/m0/s1

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Names and synonyms

4 names
  • L-Alanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-methyl-
  • N-Fmoc-N-methyl-L-alanine
  • (2S)-2-([[(9H-Fluoren-9-yl)methoxy]carbonyl](methyl)amino)propanoic acid
  • (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)(methyl)amino)propanoic acid

Work with N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-alanine

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-N-methyl-D-valine103478-58-676 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-valine84000-11-376 % similar Fmoc-N-methyl-L-leucine103478-62-273 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-methyl-D-leucine103478-63-373 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-norvaline252049-05-171 % similar Fmoc-N-methyl-L-norleucine112883-42-868 % similar O-(1,1-Dimethylethyl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-threonine117106-20-466 % similar 1-(9H-Fluoren-9-ylmethyl) 1,3-azetidinedicarboxylate193693-64-062 % similar

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

Same formula

Fmoc-gamma-abu-oh116821-47-7 (2S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)butanoic acid135112-27-5 2-[[[(9H-Fluoren-9-yl)methoxy]carbonyl]amino]-2-methylpropionic acid94744-50-0

Elsewhere

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