Dimethyl N-(tert-Butoxycarbonyl)-L-glutamate

C₁₂H₂₁NO₆CAS 59279-60-6275.30 g/mol

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Properties

Molecular formula: C₁₂H₂₁NO₆
Molar mass: 275.30 g/mol
Exact mass: 275.1369 Da
logP: 1.21Crippen estimate
Polar surface area: 94.4 Å²
H-bond donors / acceptors: 1 / 6
Rotatable bonds: 5
Stereocentres: Sin SMILES atom order

Hazards

Warning

H315 Causes skin irritation33.3% of notifiers
H319 Causes serious eye irritation33.3% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 3 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

59279-60-6

SMILES

COC(=O)CC[C@H](N=C(O)OC(C)(C)C)C(=O)OC

InChIKey

QNSPKWUAZQIIGZ-QMMMGPOBSA-N

InChI

InChI=1S/C12H21NO6/c1-12(2,3)19-11(16)13-8(10(15)18-5)6-7-9(14)17-4/h8H,6-7H2,1-5H3,(H,13,16)/t8-/m0/s1

Weigh it out

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Names and synonyms

10 names

1,5-Dimethyl N-[(1,1-dimethylethoxy)carbonyl]-L-glutamate
L-Glutamic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 1,5-dimethyl ester
L-Glutamic acid, N-[(1,1-dimethylethoxy)carbonyl]-, dimethyl ester
Dimethyl N-tert-butoxycarbonyl-L-glutamate
Boc-glu(OMe)-OMe
Methyl (2S)-2-((tert-butoxycarbonyl)amino)-5-methoxy-5-oxopentanoate
N-tert-Butoxycarbonyl-L-glutamic acid dimethyl ester
Dimethyl (2S)-2-(tert-butoxycarbonylamino)pentanedioate
Dimethyl (S)-(N-tert-butoxycarbonyl)glutamate
(S)-Dimethyl 2-((tert-butoxycarbonyl)amino)pentanedioate

Work with Dimethyl N-(tert-Butoxycarbonyl)-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

5-(1,1-Dimethylethyl) hydrogen N-[(1,1-dimethylethoxy)carbonyl]-L-glutamate13726-84-664 % similar N-(tert-Butoxycarbonyl)-L-glutamic acid 1-tert-butyl ester24277-39-263 % similar 5-Cyclohexyl hydrogen N-((1,1-dimethylethoxy)carbonyl)-L-glutamate73821-97-356 % similar Boc-L-glutamine13726-85-754 % similar Methyl pyroglutamate4931-66-252 % similar Methyl 5-oxopyrrolidine-2-carboxylate54571-66-352 % similar 5-Oxo-L-proline 1,1-dimethylethyl ester35418-16-752 % similar N-[(1,1-Dimethylethoxy)carbonyl]-L-homoserine41088-86-252 % similar

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

Elsewhere

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