chempirical

(2R,3S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-hydroxybutanoic acid

C19H19NO5CAS 157355-81-2341.36 g/mol

Open in Covalent MOL file
OOHNHOOHO
AlcoholCarbamateCarboxylic acid

Properties

Molecular formula
C19H19NO5
Molar mass
341.36 g/mol
Exact mass
341.1263 Da
logP
2.36Crippen estimate
Polar surface area
95.9 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
5
Stereocentres
S, Rin SMILES atom order

Identifiers

CAS number
157355-81-2
SMILES
C[C@@H]([C@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)O
InChIKey
OYULCCKKLJPNPU-APPDUMDISA-N
InChI
InChI=1S/C19H19NO5/c1-11(21)17(18(22)23)20-19(24)25-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,11,16-17,21H,10H2,1H3,(H,20,24)(H,22,23)/t11-,17+/m0/s1

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Names and synonyms

1 names
  • Fmoc-D-thr-oh

Work with (2R,3S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-hydroxybutanoic 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-D-allo-ile-oh118904-37-373 % similar Fmoc-D-ile-oh143688-83-973 % similar Fmoc-3,3-diphenyl-L-alanine201484-50-670 % similar Fmoc-chg-oh161321-36-469 % similar Fmoc-D-chg-oh198543-96-369 % similar Nalpha-((9H-Fluoren-9-ylmethoxy)carbonyl)-L-threonine tert-Butyl Ester120791-76-669 % similar Fmoc-O-tert-butyl-D-threonine138797-71-469 % similar Fmoc-D-allo-thr(tbu)-oh170643-02-469 % similar

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

Elsewhere

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