chempirical

N-(9-Fluorenylmethoxycarbonyl)-O-tert-butylserine

C22H25NO5CAS 71989-33-8383.44 g/mol

Open in Covalent MOL file
ONHOOOOH
Carboxylic acidEther

Properties

Molecular formula
C22H25NO5
Molar mass
383.44 g/mol
Exact mass
383.1733 Da
Melting point
128–131 °C
logP
4.00Crippen estimate
Polar surface area
88.3 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
6
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
71989-33-8
SMILES
CC(C)(C)OC[C@H](N=C(O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIKey
REITVGIIZHFVGU-IBGZPJMESA-N
InChI
InChI=1S/C22H25NO5/c1-22(2,3)28-13-19(20(24)25)23-21(26)27-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19H,12-13H2,1-3H3,(H,23,26)(H,24,25)/t19-/m0/s1

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Names and synonyms

8 names
  • (2S)-3-tert-Butoxy-2-[[[(9H-fluoren-9-yl)methoxy]carbonyl]amino]propanoic acid
  • Fmoc-ser(OtBu)-OH
  • Fmoc-L-ser(tBu)-OH
  • (2S)-3-(tert-Butoxy)-2-([[(9H-fluoren-9-yl)methoxy]carbonyl]amino)propanoic acid
  • (2S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxy]propanoic acid
  • L-Serine, O-(1,1-dimethylethyl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-
  • O-(1,1-Dimethylethyl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-serine
  • O-tert-Butyl-N-(9-fluorenylmethoxycarbonyl)serine

Work with N-(9-Fluorenylmethoxycarbonyl)-O-tert-butylserine

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]-O-(triphenylmethyl)-L-serine111061-56-477 % similar Fmoc-L-asp(otbu)-oh71989-14-575 % similar N-(9-Fluorenylmethoxycarbonyl)-L-glutamic acid γ-tert-butyl ester71989-18-973 % similar N-[(1,1-Dimethylethoxy)carbonyl]-3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-D-alanine131570-56-471 % similar Fmoc-L-tyr(tbu)-oh71989-38-371 % similar Fmoc-leucine35661-60-070 % similar N-α-Fluorenylmethoxycarbonyl-N-δ-tert-butoxycarbonyl-L-ornithine109425-55-069 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-5-methyl-L-norleucine180414-94-269 % similar

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

Same formula

Nalpha-fmoc-L-serine tert-butyl ester110797-35-8 9-Fluorenylmethyloxycarbonyl-D-Ser(t-butyl)-OH128107-47-1

Elsewhere

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