chempirical

(R)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(tert-butoxy)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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

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

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

Names and synonyms

4 names
  • (3R)-4-(1,1-Dimethylethoxy)-3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]butanoic acid
  • 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 (R)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(tert-butoxy)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 Fmoc-D-allo-thr(tbu)-oh170643-02-4 N-Fmoc-N-methyl-O-tert-butyl-L-serine197632-77-2 Fmoc-allo-thr(tbu)-oh201481-37-0 N-(9-Fluorenylmethoxycarbonyl)-O-tert-butylthreonine71989-35-0 (S)-Fmoc-2-amino-3-tert-butoxy-2-methyl-propionic acid914399-98-7

Elsewhere

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