chempirical

γ-Benzyl L-glutamate

C12H15NO4CAS 1676-73-9237.26 g/mol

Open in Covalent MOL file
H2NOOOHO
Carboxylic acidEsterPrimary amine

Properties

Molecular formula
C12H15NO4
Molar mass
237.26 g/mol
Exact mass
237.1001 Da
Melting point
169–170 °C
logP
0.92Crippen estimate
Polar surface area
89.6 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
6
Stereocentres
Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 6 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
1676-73-9
SMILES
N[C@@H](CCC(=O)OCc1ccccc1)C(=O)O
InChIKey
BGGHCRNCRWQABU-JTQLQIEISA-N
InChI
InChI=1S/C12H15NO4/c13-10(12(15)16)6-7-11(14)17-8-9-4-2-1-3-5-9/h1-5,10H,6-8,13H2,(H,15,16)/t10-/m0/s1

Weigh it out

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Names and synonyms

16 names · show all
  • L-Glutamic acid, 5-(phenylmethyl) ester
  • Glutamic acid, 5-benzyl ester, L-
  • L-Glutamic acid 5-benzyl ester
  • γ-Benzylglutamic acid
  • 5-Benzyl L-glutamate
  • L-Glutamate-γ-benzyl ester
  • Glutamic acid γ-benzyl ester
  • L-Glutamic acid γ-benzyl ester
  • Benzyl glutamate
  • γ-Benzyl glutamate
  • Glutamic acid, 5-benzyl ester
  • H-Glu(OBzl)-OH
  • NSC 9969
  • (2S)-2-Amino-5-(benzyloxy)-5-oxopentanoic acid
  • (S)-2-Amino-5-(benzyloxy)-5-oxopentanoic acid
  • (2S)-2-Azaniumyl-5-oxo-5-phenylmethoxypentanoate

Work with γ-Benzyl 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.

5-(Phenylmethyl) hydrogen D-glutamate2578-33-8Enantiomer

Similar compounds

H-D-Asp(obzl)-oh13188-89-176 % similar 4-(Phenylmethyl) hydrogen L-aspartate2177-63-176 % similar Dibenzyl L-glutamate hydrochloride4561-10-867 % similar 5-(Phenylmethyl) hydrogen N-((phenylmethoxy)carbonyl)-L-glutamate5680-86-464 % similar z-d-Glu(obzl)-oh59486-73-664 % similar Dl-homophenylalanine1012-05-163 % similar D-Homophenylalanine82795-51-563 % similar L-Homophenylalanine943-73-763 % similar

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

Same formula

(3S)-1,2,3,4-Tetrahydro-6,7-dimethoxy-3-isoquinolinecarboxylic acid103733-66-0 Boc-3-aminobenzoic acid111331-82-9 L-Glutamic acid alpha-benzyl ester13030-09-6 Z-Aib-oh15030-72-5 N-(2,4-Dimethoxyphenyl)-3-oxobutanamide16715-79-0 Z-N-Me-ala-OH21691-41-8 Z-Ala-ome28819-05-8

Elsewhere

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