chempirical

8-(9-Fluorenylmethoxycarbonylamino)-3,6-dioxaoctanoic acid

C21H23NO6CAS 166108-71-0385.42 g/mol

Open in Covalent MOL file
OHOOONHOO
Carboxylic acidEther

Properties

Molecular formula
C21H23NO6
Molar mass
385.42 g/mol
Exact mass
385.1525 Da
logP
2.85Crippen estimate
Polar surface area
97.6 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
10

Identifiers

CAS number
166108-71-0
SMILES
O=C(O)COCCOCCN=C(O)OCC1c2ccccc2-c2ccccc21
InChIKey
XQPYRJIMPDBGRW-UHFFFAOYSA-N
InChI
InChI=1S/C21H23NO6/c23-20(24)14-27-12-11-26-10-9-22-21(25)28-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,19H,9-14H2,(H,22,25)(H,23,24)

Weigh it out

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

Names and synonyms

11 names
  • 3,6,11-Trioxa-9-azadodecanoic acid, 12-(9H-fluoren-9-yl)-10-oxo-
  • 2,7,10-Trioxa-4-azadodecan-12-oic acid, 1-(9H-fluoren-9-yl)-3-oxo-
  • 12-(9H-Fluoren-9-yl)-10-oxo-3,6,11-trioxa-9-azadodecanoic acid
  • 9-Fluorenylmethoxycarbonyl-8-amino-3,6-dioxaoctanoic acid
  • 8-(Fmoc-amino)-3,6-dioxaoctanoic acid
  • [2-[2-(9H-Fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]acetic acid
  • Fmoc-NH-PEG2-CH2COOH
  • 1-(9H-Fluoren-9-yl)-3-oxo-2,7,10-trioxa-4-azadodecan-12-oic acid
  • Fmoc-aeea
  • 2-[2-[2-(9H-Fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]acetic acid
  • 2-[2-[2-([[(9H-Fluoren-9-yl)methoxy]carbonyl]amino)ethoxy]ethoxy]acetic acid

Work with 8-(9-Fluorenylmethoxycarbonylamino)-3,6-dioxaoctanoic 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

1-(9H-Fluoren-9-ylmethyl) 5,8,11,14,17,20,23,26-octaoxa-2-azanonacosanedioate756526-02-084 % similar 1-(9H-Fluoren-9-ylmethyl) 5,8,11,14,17,20-hexaoxa-2-azatricosanedioate882847-34-984 % similar Fmoc-gly-oh29022-11-567 % similar N′-Fmoc-L-lysine84624-28-256 % similar (βR)-β-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]benzenebutanoic acid209252-16-453 % similar (βR)-β-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]benzenepentanoic acid269398-87-052 % similar (3R,4S)-3-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-4-methylhexanoic acid193954-27-751 % similar (3S)-3-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-5-hexenoic acid270263-04-251 % similar

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

Elsewhere

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