5-Methyl hydrogen N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-glutamate

C₂₁H₂₁NO₆CAS 145038-50-2383.40 g/mol

Open in Covalent MOL file

Carboxylic acid Ester

Properties

Molecular formula: C₂₁H₂₁NO₆
Molar mass: 383.40 g/mol
Exact mass: 383.1369 Da
logP: 3.14Crippen estimate
Polar surface area: 105.4 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 7
Stereocentres: Sin SMILES atom order

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

145038-50-2

SMILES

COC(=O)CC[C@H](N=C(O)OCC1c2ccccc2-c2ccccc21)C(=O)O

InChIKey

RULINAWEYRMHHQ-SFHVURJKSA-N

InChI

InChI=1S/C21H21NO6/c1-27-19(23)11-10-18(20(24)25)22-21(26)28-12-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,17-18H,10-12H2,1H3,(H,22,26)(H,24,25)/t18-/m0/s1

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Names and synonyms

3 names

L-Glutamic acid, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 5-methyl ester
N-(9-Fluorenylmethoxycarbonyl)glutamic acid γ-methyl ester
(2S)-2-([[(9H-Fluoren-9-yl)methoxy]carbonyl]amino)-5-methoxy-5-oxopentanoic acid

Work with 5-Methyl hydrogen N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-glutamate

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-Methyl hydrogen N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-aspartate145038-53-583 % similar Fmoc-L-glutamic acid 5-tert-butyl ester71989-18-977 % similar 5-(Phenylmethyl) hydrogen N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-glutamate123639-61-275 % similar N2-[(9H-Fluoren-9-ylmethoxy)carbonyl]-D-glutamine112898-00-773 % similar N2-((9H-Fluoren-9-ylmethoxy)carbonyl)-L-glutamine71989-20-373 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-5-methyl-L-norleucine180414-94-272 % similar D-Fmoc-methionine112883-40-670 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-methionine71989-28-170 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(-)-Hydrastine118-08-1

Elsewhere

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