(αR)-α-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]cyclohexanepropanoic acid

C24H27NO4CAS 144701-25-7393.48 g/mol

Open in Covalent MOL file
OOHNHOO
Carboxylic acid

Properties

Molecular formula
C24H27NO4
Molar mass
393.48 g/mol
Exact mass
393.1940 Da
logP
5.15Crippen estimate
Polar surface area
79.1 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
6
Stereocentres
Rin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
144701-25-7
SMILES
O=C(O)[C@@H](CC1CCCCC1)N=C(O)OCC1c2ccccc2-c2ccccc21
InChIKey
HIJAUEZBPWTKIV-JOCHJYFZSA-N
InChI
InChI=1S/C24H27NO4/c26-23(27)22(14-16-8-2-1-3-9-16)25-24(28)29-15-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h4-7,10-13,16,21-22H,1-3,8-9,14-15H2,(H,25,28)(H,26,27)/t22-/m1/s1

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Names and synonyms

3 names
  • Cyclohexanepropanoic acid, α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (αR)-
  • Cyclohexanepropanoic acid, α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (R)-
  • (2R)-3-Cyclohexyl-2-([[(9H-fluoren-9-yl)methoxy]carbonyl]amino)propanoic acid

Work with (αR)-α-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]cyclohexanepropanoic 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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Fmoc-cha-oh135673-97-1Enantiomer

Similar compounds

(αS)-α-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]cyclobutanepropanoic acid478183-62-994 % similar (2R)-3-Cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid170642-29-289 % similar (2S)-3-Cyclopropyl-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)propanoic acid214750-76-289 % similar Fmoc-leucine35661-60-073 % similar (2S)-2-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-4,4-difluorobutanoic acid467442-21-373 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-5-methyl-L-norleucine180414-94-269 % similar Fmoc-L-phenylalanine35661-40-668 % similar Fmoc-L-propargylglycine198561-07-867 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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