4-(9H-Fluoren-9-ylmethoxycarbonylamino)-piperidine-1,4-dicarboxylic acid mono-tert-butyl ester

C₂₆H₃₀N₂O₆CAS 183673-66-7466.53 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: 4.38Crippen estimate
Polar surface area: 105.2 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 4

Hazards

Warning

H315 Causes skin irritation97.7% of notifiers
H319 Causes serious eye irritation97.7% of notifiers
H335 May cause respiratory irritation97.7% of notifiers

Aggregated from 43 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

183673-66-7

SMILES

CC(C)(C)OC(=O)N1CCC(CC1)(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

InChIKey

BOFOACPQHWDRLH-UHFFFAOYSA-N

InChI

InChI=1S/C26H30N2O6/c1-25(2,3)34-24(32)28-14-12-26(13-15-28,22(29)30)27-23(31)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

1 names

1-((tert-Butoxy)carbonyl)-4-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)piperidine-4-carboxylic acid

Work with 4-(9H-Fluoren-9-ylmethoxycarbonylamino)-piperidine-1,4-dicarboxylic acid mono-tert-butyl ester

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

4-Benzyloxycarbonylamino-piperidine-1,4-dicarboxylic acid mono-tert-butyl ester288154-16-572 % similar Fmoc-cycloleucine117322-30-267 % similar 4-(Fmoc-amino)-tetrahydropyran-4-carboxylic acid285996-72-764 % similar 4-tert-Butoxycarbonylamino-piperidine-1,4-dicarboxylic acid mono-tert-butyl ester189321-65-164 % similar (S)-Alpha-Fmoc-D-Boc-4-Piperidylglycine204058-24-262 % similar (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2,3-dimethylbutanoic acid169566-81-856 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-isovaline857478-30-956 % similar 4-Boc-1-fmoc-2-piperazinecarboxylic acid183742-23-655 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-(1,1-Dimethylethyl) 1-(9H-fluoren-9-ylmethyl) 2-(carboxymethyl)-1,4-piperazinedicarboxylate183742-34-9 Fmoc-val-ser(psime,mepro)-oh186023-49-4 1-(9H-Fluoren-9-ylmethyl) 4-[[(1,1-dimethylethoxy)carbonyl]amino]-1,4-piperidinedicarboxylate368866-07-3

Elsewhere

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