chempirical

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

C21H23NO4CAS 84000-11-3353.42 g/mol

Open in Covalent MOL file
OOHNOO
CarbamateCarboxylic acid

Properties

Molecular formula
C21H23NO4
Molar mass
353.42 g/mol
Exact mass
353.1627 Da
Melting point
187–189 °C
logP
3.98Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
5
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
84000-11-3
SMILES
CC(C)[C@@H](C(=O)O)N(C)C(=O)OCC1c2ccccc2-c2ccccc21
InChIKey
YCXXXPZNQXXRIG-IBGZPJMESA-N
InChI
InChI=1S/C21H23NO4/c1-13(2)19(20(23)24)22(3)21(25)26-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,13,18-19H,12H2,1-3H3,(H,23,24)/t19-/m0/s1

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

Names and synonyms

4 names
  • L-Valine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-methyl-
  • N-(9-Fluorenylmethoxycarbonyl)-N-methylvaline
  • (2S)-2-[9H-Fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-methylbutanoic acid
  • (2S)-2-([[(9H-Fluoren-9-yl)methoxy]carbonyl](methyl)amino)-3-methylbutanoic acid

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

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

N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-alanine84000-07-776 % similar O-(1,1-Dimethylethyl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-threonine117106-20-473 % similar Fmoc-N-methyl-L-leucine103478-62-270 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-methyl-D-leucine103478-63-370 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-norvaline252049-05-168 % similar Fmoc-N-methyl-L-norleucine112883-42-865 % similar N-Methyl-N-[(phenylmethoxy)carbonyl]-L-valine42417-65-265 % similar 1-(9H-Fluoren-9-ylmethyl) 1,3-azetidinedicarboxylate193693-64-060 % similar

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

Same formula

Fmoc-N-methyl-D-valine103478-58-6 tert-Butyl (2R,3S)-6-oxo-2,3-diphenylmorpholine-4-carboxylate112741-49-8 1,1-Dimethylethyl (2S,3R)-6-oxo-2,3-diphenyl-4-morpholinecarboxylate112741-50-1 Fmoc-D-nle-oh112883-41-7 (2R)-2-(((9H-Fluoren-9-ylmethoxy)carbonyl)amino)-4-methylpentanoic acid114360-54-2 Fmoc-D-allo-ile-oh118904-37-3 (2S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoic acid132684-60-7 Fmoc-D-ile-oh143688-83-9

Elsewhere

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