chempirical

(3R)-4-(1,1-Dimethylethoxy)-3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]butanoic acid

C23H27NO5CAS 203854-51-7397.47 g/mol

Open in Covalent MOL file
OOHONHOO
Carboxylic acidEther

Properties

Molecular formula
C23H27NO5
Molar mass
397.47 g/mol
Exact mass
397.1889 Da
Melting point
98 °C
logP
4.39Crippen estimate
Polar surface area
88.3 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
7
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
203854-51-7
SMILES
CC(C)(C)OC[C@@H](CC(=O)O)N=C(O)OCC1c2ccccc2-c2ccccc21
InChIKey
SKYFRYZPXHNPOK-OAHLLOKOSA-N
InChI
InChI=1S/C23H27NO5/c1-23(2,3)29-13-15(12-21(25)26)24-22(27)28-14-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,15,20H,12-14H2,1-3H3,(H,24,27)(H,25,26)/t15-/m1/s1

Weigh it out

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

Names and synonyms

3 names
  • Butanoic acid, 4-(1,1-dimethylethoxy)-3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (3R)-
  • Butanoic acid, 4-(1,1-dimethylethoxy)-3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (R)-
  • (3R)-3-(9H-Fluoren-9-ylmethoxycarbonylamino)-4-[(2-methylpropan-2-yl)oxy]butanoic acid

Work with (3R)-4-(1,1-Dimethylethoxy)-3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]butanoic 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

(βS)-4-(1,1-Dimethylethoxy)-β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]benzenebutanoic acid219967-69-873 % similar (βR)-β-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]benzenepentanoic acid269398-87-071 % similar (βR)-β-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]benzenebutanoic acid209252-16-469 % similar N-(9-Fluorenylmethoxycarbonyl)-O-tert-butylserine71989-33-868 % similar (3S)-3-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-5-hexenoic acid270263-04-267 % similar (βS)-β-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-2-methylbenzenebutanoic acid270062-91-466 % similar (βS)-β-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-4-methylbenzenebutanoic acid270062-97-066 % similar (βS)-2-Chloro-β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]benzenebutanoic acid270596-37-764 % similar

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

Same formula

Nalpha-((9H-Fluoren-9-ylmethoxy)carbonyl)-L-threonine tert-Butyl Ester120791-76-6 Fmoc-O-tert-butyl-D-threonine138797-71-4 Fmoc-L-statine158257-40-0 N-(9-Fluorenylmethoxycarbonyl)-O-tert-butylthreonine71989-35-0 O-(1,1-Dimethylethyl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-2-methyl-L-serine914399-98-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook