5-(1,1-Dimethylethyl) hydrogen N-[(1,1-dimethylethoxy)carbonyl]-L-glutamate

C14H25NO6CAS 13726-84-6303.36 g/mol

Open in Covalent MOL file
OONHOOOOH
Carboxylic acidEster

Properties

Molecular formula
C14H25NO6
Molar mass
303.36 g/mol
Exact mass
303.1682 Da
Melting point
101–102 °C
logP
2.29Crippen estimate
Polar surface area
105.4 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
5
Stereocentres
Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

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
13726-84-6
SMILES
CC(C)(C)OC(=O)CC[C@H](N=C(O)OC(C)(C)C)C(=O)O
InChIKey
YGSRAYJBEREVRB-VIFPVBQESA-N
InChI
InChI=1S/C14H25NO6/c1-13(2,3)20-10(16)8-7-9(11(17)18)15-12(19)21-14(4,5)6/h9H,7-8H2,1-6H3,(H,15,19)(H,17,18)/t9-/m0/s1

Weigh it out

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

Names and synonyms

9 names
  • L-Glutamic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 5-(1,1-dimethylethyl) ester
  • Glutamic acid, N-carboxy-, N,5-di-tert-butyl ester, L-
  • (2S)-5-tert-Butoxy-2-[(tert-butoxycarbonyl)amino]-5-oxopentanoic acid
  • N-tert-Butoxycarbonylglutamic acid γ-tert-butyl ester
  • N-Boc-glutaminic acid δ-(tert-butyl) ester
  • N-Boc-L-glutamic acid γ-(tert-butyl) ester
  • NSC 164048
  • (S)-5-tert-Butoxy-2-(tert-butoxycarbonylamino)-5-oxopentanoic acid
  • Boc-L-glu(OtBu)-OH

Work with 5-(1,1-Dimethylethyl) hydrogen N-[(1,1-dimethylethoxy)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.

Boc-D-glu(otbu)-oh104719-63-3Enantiomer

Similar compounds

5-Cyclohexyl hydrogen N-((1,1-dimethylethoxy)carbonyl)-L-glutamate73821-97-375 % similar Boc-L-glutamine13726-85-774 % similar N-[(1,1-Dimethylethoxy)carbonyl]-L-homoserine41088-86-273 % similar N-[(1,1-Dimethylethoxy)carbonyl]-D-norleucine55674-63-069 % similar N-tert-Butoxycarbonyl-L-norleucine6404-28-069 % similar Boc-L-serine3262-72-468 % similar (2S)-2-[[(1,1-Dimethylethoxy)carbonyl]amino]butanoic acid34306-42-868 % similar N-[(1,1-Dimethylethoxy)carbonyl]-D-serine6368-20-368 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-(tert-Butoxycarbonyl)-L-glutamic acid 1-tert-butyl ester24277-39-2 Boc-D-glu-otbu73872-71-6

Elsewhere

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