chempirical

γ-Benzyl L-glutamate N-carboxyanhydride

C13H13NO5CAS 3190-71-4263.25 g/mol

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EsterLactone

Properties

Molecular formula
C13H13NO5
Molar mass
263.25 g/mol
Exact mass
263.0794 Da
Melting point
96.5–97.5 °C
logP
1.35Crippen estimate
Polar surface area
85.2 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
5

Identifiers

CAS number
3190-71-4
SMILES
O=C(CCC1N=C(O)OC1=O)OCc1ccccc1
InChIKey
UGCBVSDSTGUPBC-UHFFFAOYSA-N
InChI
InChI=1S/C13H13NO5/c15-11(18-8-9-4-2-1-3-5-9)7-6-10-12(16)19-13(17)14-10/h1-5,10H,6-8H2,(H,14,17)

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Names and synonyms

19 names · show all
  • 4-Oxazolidinepropanoic acid, 2,5-dioxo-, phenylmethyl ester, (4S)-
  • 4-Oxazolidinepropionic acid, 2,5-dioxo-, benzyl ester, L-
  • 4-Oxazolidinepropanoic acid, 2,5-dioxo-, phenylmethyl ester, (S)-
  • γ-Benzyl glutamate N-carboxyanhydride
  • 5-Benzyl L-glutamate N-carboxyanhydride
  • γ-Benzyl L-N-carboxyglutamic anhydride
  • N-Carboxy-γ-benzyl-L-glutamate anhydride
  • γ-Benzyl N-carboxy-L-glutamic anhydride
  • γ-Benzyl-L-glutamic acid carboxyanhydride
  • (+)-(S)-Glutamic acid γ-benzyl ester N-carboxyanhydride
  • γ-Benzyl L-glutamate-N-carboxylic anhydride
  • γ-Benzyl glutamate NCA
  • L-Glutamic acid-γ-benzyl ester N-carboxyanhydride
  • L-γ-Benzylglutamic acid carboxyanhydride
  • γ-Benzyl-N-carboxy-L-glutamate anhydride
  • γ-Benzyl-L-glutamic acid N-carboxyanhydride
  • L-Glutamic acid carboxyanhydride γ-benzyl ester
  • N-Carboxyanhydride γ-benzyl L-glutamate
  • Benzyl glutamate N-carboxyanhydride

Work with γ-Benzyl L-glutamate N-carboxyanhydride

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-(Phenylmethyl) hydrogen N-[(phenylmethoxy)carbonyl]-L-glutamate5680-86-472 % similar 5-(Phenylmethyl) hydrogen N-[(phenylmethoxy)carbonyl]-D-glutamate59486-73-672 % similar 5-(Phenylmethyl) hydrogen N-[(1,1-dimethylethoxy)carbonyl]-L-glutamate13574-13-563 % similar 5-(Phenylmethyl) hydrogen N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-glutamate123639-61-260 % similar N-(Benzyloxycarbonyl)-L-glutamic acid1155-62-058 % similar 5-(1,1-Dimethylethyl) hydrogen N-[(phenylmethoxy)carbonyl]-L-glutamate3886-08-657 % similar 4-(Phenylmethyl) hydrogen N-[(phenylmethoxy)carbonyl]-L-aspartate3479-47-857 % similar 1-(Phenylmethyl) hydrogen N-[(1,1-dimethylethoxy)carbonyl]-L-glutamate30924-93-756 % similar

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

Same formula

(S)-4-Ethyl-4-hydroxy-7,8-dihydro-1H-pyrano[3,4-F]indolizine-3,6,10(4H)-trione110351-94-5 1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl 1,1-dimethylethyl carbonate15263-20-4 1-(Phenylmethyl) (2S)-5-oxo-1,2-pyrrolidinedicarboxylate32159-21-0 N-Succinimidyl 3-(4-hydroxyphenyl)propionate34071-95-9

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