1-(9H-Fluoren-9-ylmethyl) 4-[[(1,1-dimethylethoxy)carbonyl]amino]-1,4-piperidinedicarboxylate

C₂₆H₃₀N₂O₆CAS 368866-07-3466.53 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid

Properties

Molecular formula: C₂₆H₃₀N₂O₆
Molar mass: 466.53 g/mol
Exact mass: 466.2104 Da
logP: 4.58Crippen estimate
Polar surface area: 108.7 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 4

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

368866-07-3

SMILES

CC(C)(C)OC(O)=NC1(C(=O)O)CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1

InChIKey

SHJZHFAOEGNFGY-UHFFFAOYSA-N

InChI

InChI=1S/C26H30N2O6/c1-25(2,3)34-23(31)27-26(22(29)30)12-14-28(15-13-26)24(32)33-16-21-19-10-6-4-8-17(19)18-9-5-7-11-20(18)21/h4-11,21H,12-16H2,1-3H3,(H,27,31)(H,29,30)

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Names and synonyms

3 names

1,4-Piperidinedicarboxylic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, 1-(9H-fluoren-9-ylmethyl) ester
4-[(tert-Butoxycarbonyl)amino]-1-[[(9H-fluoren-9-yl)methoxy]carbonyl]piperidine-4-carboxylic acid
1-(9H-Fluoren-9-ylmethoxycarbonyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylic acid

Work with 1-(9H-Fluoren-9-ylmethyl) 4-[[(1,1-dimethylethoxy)carbonyl]amino]-1,4-piperidinedicarboxylate

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

1-((Fmoc)amino)cyclohexanecarboxylic acid162648-54-661 % similar 2-[[[(9H-Fluoren-9-yl)methoxy]carbonyl]amino]-2-methylpropionic acid94744-50-055 % similar (S)-Fmoc-2-amino-3-tert-butoxy-2-methyl-propionic acid914399-98-755 % similar 1-((tert-Butoxy)carbonyl)-4-(((9H-fluoren-9-yl)methoxy)carbonyl)piperazine-2-carboxylic acid218278-58-154 % similar 4-Boc-1-fmoc-2-piperazinecarboxylic acid183742-23-652 % similar N-[(1,1-Dimethylethoxy)carbonyl]-3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-D-alanine131570-56-450 % similar Fmoc-isonipecotic acid148928-15-850 % similar (S)-Alpha-Fmoc-D-Boc-4-Piperidylglycine204058-24-250 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-(9H-Fluoren-9-ylmethoxycarbonylamino)-piperidine-1,4-dicarboxylic acid mono-tert-butyl ester183673-66-7 4-(1,1-Dimethylethyl) 1-(9H-fluoren-9-ylmethyl) 2-(carboxymethyl)-1,4-piperazinedicarboxylate183742-34-9 Fmoc-val-ser(psime,mepro)-oh186023-49-4

Elsewhere

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