5-tert-Butyl N-((phenylmethoxy)carbonyl)-L-glutamate

C₁₇H₂₃NO₆CAS 3886-08-6337.37 g/mol

Open in Covalent MOL file

Carboxylic acid Ester

Properties

Molecular formula: C₁₇H₂₃NO₆
Molar mass: 337.37 g/mol
Exact mass: 337.1525 Da
Melting point: 81–85 °C
logP: 2.69Crippen 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
H317 May cause an allergic skin reaction100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

3886-08-6

SMILES

CC(C)(C)OC(=O)CC[C@H](N=C(O)OCc1ccccc1)C(=O)O

InChIKey

GLMODRZPPBZPPB-ZDUSSCGKSA-N

InChI

InChI=1S/C17H23NO6/c1-17(2,3)24-14(19)10-9-13(15(20)21)18-16(22)23-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,18,22)(H,20,21)/t13-/m0/s1

Weigh it out

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

Names and synonyms

8 names

5-(1,1-Dimethylethyl) hydrogen N-[(phenylmethoxy)carbonyl]-L-glutamate
L-Glutamic acid, N-[(phenylmethoxy)carbonyl]-, 5-(1,1-dimethylethyl) ester
Glutamic acid, N-carboxy-, N-benzyl 5-tert-butyl ester, L-
(Benzyloxycarbonyl)-L-glutamic acid 5-tert-butyl ester
Nα-Benzyloxycarbonyl-γ-tert-butyl-L-glutamic acid
4(S)-Carboxy-4-(N-(benzyloxycarbonyl)amino)butanoic acid tert-butyl ester
(2S)-2-[[(Benzyloxy)carbonyl]amino]-5-tert-butoxy-5-oxopentanoic acid
(2S)-5-[(2-Methylpropan-2-yl)oxy]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid

Work with 5-tert-Butyl N-((phenylmethoxy)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

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.

Z-D-Glu(otbu)-oh51644-83-8Enantiomer

Similar compounds

4-(1,1-Dimethylethyl) hydrogen N-[(phenylmethoxy)carbonyl]-L-aspartate5545-52-882 % similar 5-(Phenylmethyl) hydrogen N-((phenylmethoxy)carbonyl)-L-glutamate5680-86-478 % similar z-d-Glu(obzl)-oh59486-73-678 % similar N-Carbobenzoxy-L-aspartic acid β-tert-butyl ester dicyclohexylamine salt (1:1)23632-70-474 % similar N2-[(1,1-Dimethylethoxy)carbonyl]-N5-[(phenylmethoxy)carbonyl]-D-ornithine16937-92-173 % similar N2-[(1,1-Dimethylethoxy)carbonyl]-N5-[(phenylmethoxy)carbonyl]-L-ornithine2480-93-573 % similar N-tert-Butoxycarbonyl-L-aspartic acid β-benzyl ester7536-58-572 % similar N2-[(1,1-Dimethylethoxy)carbonyl]-N6-[(phenylmethoxy)carbonyl]-L-lysine2389-45-972 % similar

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

Same formula

5-(Phenylmethyl) hydrogen N-[(1,1-dimethylethoxy)carbonyl]-L-glutamate13574-13-5 Boc-L-beta-Homoaspartic acid254101-10-5 1-(Phenylmethyl) hydrogen N-((1,1-dimethylethoxy)carbonyl)-L-glutamate30924-93-7 N-Alpha-t-Butyloxycarbonyl-D-glutamic acid benzyl ester34404-30-3 Boc-D-glutamic acid 5-benzyl ester35793-73-8 Z-Glu-otbu5891-45-2

Elsewhere

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