Fmoc-N-(2,4,6-trimethoxybenzyl)-glycine

C₂₇H₂₇NO₇CAS 166881-43-2477.51 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Ether

Properties

Molecular formula: C₂₇H₂₇NO₇
Molar mass: 477.51 g/mol
Exact mass: 477.1788 Da
logP: 4.55Crippen estimate
Polar surface area: 94.5 Å²
H-bond donors / acceptors: 1 / 6
Rotatable bonds: 9

Hazards

Danger

H301 Toxic if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers
H413 May cause long lasting harmful effects to aquatic life100% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

166881-43-2

SMILES

COC1=CC(=C(C(=C1)OC)CN(CC(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)OC

InChIKey

QRIVZMBKOCDKBU-UHFFFAOYSA-N

InChI

InChI=1S/C27H27NO7/c1-32-17-12-24(33-2)22(25(13-17)34-3)14-28(15-26(29)30)27(31)35-16-23-20-10-6-4-8-18(20)19-9-5-7-11-21(19)23/h4-13,23H,14-16H2,1-3H3,(H,29,30)

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Names and synonyms

1 names

N-Fmoc-N-(2,4,6-trimethoxybenzyl)glycine

Work with Fmoc-N-(2,4,6-trimethoxybenzyl)-glycine

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-(dmb)gly-oh166881-42-180 % similar Fmoc-N(hmb)-gly-oh148515-78-071 % similar 2-((((9H-Fluoren-9-yl)methoxy)carbonyl)(methyl)amino)acetic acid77128-70-260 % similar 1-[(9H-Fluoren-9-ylmethoxy)carbonyl]-4-piperidineacetic acid180181-05-952 % similar Weinreb linker247021-90-552 % similar Fmoc-asp(otbu)-(dmb)gly-oh900152-72-951 % similar 1-(9H-Fluoren-9-ylmethyl) 1,3-azetidinedicarboxylate193693-64-051 % similar Fmoc-isonipecotic acid148928-15-849 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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