chempirical

(αR)-α-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-2-furanpropanoic acid

C22H19NO5CAS 220497-85-8377.40 g/mol

Open in Covalent MOL file
OOHONHOO
Carboxylic acid

Properties

Molecular formula
C22H19NO5
Molar mass
377.40 g/mol
Exact mass
377.1263 Da
logP
4.02Crippen estimate
Polar surface area
92.3 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
6
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
220497-85-8
SMILES
O=C(O)[C@@H](Cc1ccco1)N=C(O)OCC1c2ccccc2-c2ccccc21
InChIKey
AJXDCHXGNUFBRC-HXUWFJFHSA-N
InChI
InChI=1S/C22H19NO5/c24-21(25)20(12-14-6-5-11-27-14)23-22(26)28-13-19-17-9-3-1-7-15(17)16-8-2-4-10-18(16)19/h1-11,19-20H,12-13H2,(H,23,26)(H,24,25)/t20-/m1/s1

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Names and synonyms

2 names
  • 2-Furanpropanoic acid, α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (αR)-
  • (R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(furan-2-yl)propanoic acid

Work with (αR)-α-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-2-furanpropanoic acid

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-phenylalanine35661-40-673 % similar (αR)-α-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino][1,1′-biphenyl]-4-propanoic acid205526-38-168 % similar (αR)-α-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-1-naphthalenepropanoic acid138774-93-367 % similar (2R)-3-Cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid170642-29-267 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-4-fluoro-D-phenylalanine177966-64-267 % similar (αS)-α-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-2-pyridinepropanoic acid185379-40-267 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-2-fluoro-L-phenylalanine205526-26-767 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-4-iodo-D-phenylalanine205526-29-067 % similar

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

Same formula

Fmoc-(R)-3-amino-3-(2-furyl)-propionic acid1217662-55-9 Fmoc-L-2-furylalanine159611-02-6

Elsewhere

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