N-(1-Fluorenyl-methoxycarbonyl)-(4-((2,4-dimethoxyphenyl)amino)phenoxy)acetic acid

C₃₂H₂₉NO₇CAS 126828-35-1539.58 g/mol

Open in Covalent MOL file

Carboxylic acid Ether

Properties

Molecular formula: C₃₂H₂₉NO₇
Molar mass: 539.58 g/mol
Exact mass: 539.1944 Da
logP: 6.00Crippen estimate
Polar surface area: 106.8 Å²
H-bond donors / acceptors: 2 / 6
Rotatable bonds: 10

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 42 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

126828-35-1

SMILES

COc1ccc(C(N=C(O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCC(=O)O)cc2)c(OC)c1

InChIKey

UPMGJEMWPQOACJ-UHFFFAOYSA-N

InChI

InChI=1S/C32H29NO7/c1-37-22-15-16-27(29(17-22)38-2)31(20-11-13-21(14-12-20)39-19-30(34)35)33-32(36)40-18-28-25-9-5-3-7-23(25)24-8-4-6-10-26(24)28/h3-17,28,31H,18-19H2,1-2H3,(H,33,36)(H,34,35)

Weigh it out

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

Names and synonyms

8 names

2-[4-[(2,4-Dimethoxyphenyl)[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]methyl]phenoxy]acetic acid
Acetic acid, 2-[4-[(2,4-dimethoxyphenyl)[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]methyl]phenoxy]-
Acetic acid, [4-[(2,4-dimethoxyphenyl)[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]methyl]phenoxy]-
FMOC-AM
Fmoc-knorr
Fmoc-knorr-linker
Fmoc-Rink linker
2-(4-(((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)(2,4-dimethoxyphenyl)methyl)phenoxy)acetic acid

Work with N-(1-Fluorenyl-methoxycarbonyl)-(4-((2,4-dimethoxyphenyl)amino)phenoxy)acetic 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.

2-[4-[(2,4-Dimethoxyphenyl)[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]methyl]phenoxy]acetic acid145069-56-3

Similar compounds

2-((5-(((9H-Fluoren-9-ylmethoxy)carbonyl)amino)-10,11-dihydro-5H-dibenzo(a,d)cyclohepten-2-yl)oxy)acetic acid212783-75-063 % similar Fmoc-(dmb)gly-oh166881-42-151 % similar Fmoc-N-(2,4,6-trimethoxybenzyl)-glycine166881-43-249 % similar (3R,4S)-3-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-4-methylhexanoic acid193954-27-749 % similar (βS)-4-(1,1-Dimethylethoxy)-β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]benzenebutanoic acid219967-69-848 % similar (βR)-4-Bromo-β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]benzenepropanoic acid220498-04-448 % similar Fmoc-D-tyr(4-et)-OH162502-65-047 % similar Fmoc-gly-OH29022-11-547 % similar

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

Elsewhere

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