chempirical

(R)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-methylpentanoic acid

C21H23NO4CAS 172695-33-9353.42 g/mol

Open in Covalent MOL file
OHONHOO
CarbamateCarboxylic acid

Properties

Molecular formula
C21H23NO4
Molar mass
353.42 g/mol
Exact mass
353.1627 Da
logP
4.02Crippen estimate
Polar surface area
75.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
6
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
172695-33-9
SMILES
CC(C)[C@@H](CC(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChIKey
KFDMTAMWOIQTOB-LJQANCHMSA-N
InChI
InChI=1S/C21H23NO4/c1-13(2)19(11-20(23)24)22-21(25)26-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,13,18-19H,11-12H2,1-2H3,(H,22,25)(H,23,24)/t19-/m1/s1

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Names and synonyms

1 names
  • Fmoc-L-beta-homovaline

Work with (R)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-methylpentanoic 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-beta-homoalanine193954-26-675 % similar Fmoc-L-statine158257-40-070 % similar Fmoc-L-beta-homoleucine193887-44-469 % similar Fmoc-L-aspartic acid119062-05-467 % similar Fmoc-D-asp-oh136083-57-367 % similar Fmoc-(S)-3-amino-3-phenylpropionic acid209252-15-367 % similar Fmoc-L-beta-homophenylalanine193954-28-865 % similar Fmoc-(R)-3-amino-3-(2-furyl)-propionic acid1217662-55-962 % 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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