1-[(9H-Fluoren-9-ylmethoxy)carbonyl]-4-piperidineacetic acid

C₂₂H₂₃NO₄CAS 180181-05-9365.43 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid

Properties

Molecular formula: C₂₂H₂₃NO₄
Molar mass: 365.43 g/mol
Exact mass: 365.1627 Da
logP: 4.12Crippen estimate
Polar surface area: 66.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 4

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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

180181-05-9

SMILES

O=C(O)CC1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1

InChIKey

CQAGUAUKAZHOSU-UHFFFAOYSA-N

InChI

InChI=1S/C22H23NO4/c24-21(25)13-15-9-11-23(12-10-15)22(26)27-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,15,20H,9-14H2,(H,24,25)

Weigh it out

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

Names and synonyms

6 names

4-Piperidineacetic acid, 1-[(9H-fluoren-9-ylmethoxy)carbonyl]-
N-Fmoc-4-piperidineacetic acid
1-Fmoc-4-(carboxymethyl)piperidine
2-[1-[(9H-Fluoren-9-ylmethoxy)carbonyl]piperidin-4-yl]acetic acid
2-[1-(9H-Fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]acetic acid
2-(1-[[(9H-Fluoren-9-yl)methoxy]carbonyl]piperidin-4-yl)acetic acid

Work with 1-[(9H-Fluoren-9-ylmethoxy)carbonyl]-4-piperidineacetic 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

Fmoc-isonipecotic acid148928-15-868 % similar Fmoc-L-beta-homoproline193693-60-666 % similar 1-Fmoc-4-piperidone204376-55-661 % similar 2-((((9H-Fluoren-9-yl)methoxy)carbonyl)(methyl)amino)acetic acid77128-70-260 % similar Weinreb linker247021-90-558 % similar 1-(9H-Fluoren-9-ylmethyl) 1,3-azetidinedicarboxylate193693-64-058 % similar 1-(((9H-Fluoren-9-yl)methoxy)carbonyl)piperidine-3-carboxylic acid158922-07-757 % similar (R)-1-Fmoc-piperidine-3-carboxylic acid193693-67-357 % similar

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

Same formula

Nequinate13997-19-8 1-((Fmoc)amino)cyclohexanecarboxylic acid162648-54-6 (αS)-α-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]cyclobutanepropanoic acid478183-62-9

Elsewhere

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