chempirical

(βR)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]-1-naphthalenebutanoic acid

C19H23NO4CAS 190190-49-9329.40 g/mol

Open in Covalent MOL file
OONHOOH
Carboxylic acid

Properties

Molecular formula
C19H23NO4
Molar mass
329.40 g/mol
Exact mass
329.1627 Da
logP
3.95Crippen estimate
Polar surface area
79.1 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
5
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
190190-49-9
SMILES
CC(C)(C)OC(O)=N[C@@H](CC(=O)O)Cc1cccc2ccccc12
InChIKey
JXDXPRAUFACOHG-OAHLLOKOSA-N
InChI
InChI=1S/C19H23NO4/c1-19(2,3)24-18(23)20-15(12-17(21)22)11-14-9-6-8-13-7-4-5-10-16(13)14/h4-10,15H,11-12H2,1-3H3,(H,20,23)(H,21,22)/t15-/m1/s1

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

Names and synonyms

3 names
  • 1-Naphthalenebutanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-, (βR)-
  • 1-Naphthalenebutanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-, (R)-
  • 1-Naphthalenebutanoic acid β-[[(1,1-dimethylethoxy)carbonyl]amino]-, (βR)-

Work with (βR)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]-1-naphthalenebutanoic 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

(βR)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]-2-methylbenzenebutanoic acid269398-80-375 % similar (βS)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]-2-methylbenzenebutanoic acid270062-90-375 % similar (βR)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]-2-fluorobenzenebutanoic acid218608-98-174 % similar (βS)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]-2-fluorobenzenebutanoic acid218608-99-274 % similar (βR)-2-Cyano-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenebutanoic acid269726-80-972 % similar (βS)-2-Cyano-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenebutanoic acid270065-83-372 % similar (βR)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]benzenebutanoic acid101555-61-771 % similar (βR)-4-Chloro-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenebutanoic acid218608-96-964 % similar

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

Same formula

Sinomenine115-53-7 (βS)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]-2-naphthalenebutanoic acid219297-11-7

Elsewhere

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