chempirical

1,5-Diethyl N-(4-aminobenzoyl)-L-glutamate

C16H22N2O5CAS 13726-52-8322.36 g/mol

Open in Covalent MOL file
OONHONH2OO
AmideEsterPrimary amine

Properties

Molecular formula
C16H22N2O5
Molar mass
322.36 g/mol
Exact mass
322.1529 Da
Melting point
143–144 °C
logP
1.27Crippen estimate
Polar surface area
107.7 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
8
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
13726-52-8
SMILES
CCOC(=O)CC[C@H](NC(=O)c1ccc(N)cc1)C(=O)OCC
InChIKey
RJXFBLRRPYBPTM-ZDUSSCGKSA-N
InChI
InChI=1S/C16H22N2O5/c1-3-22-14(19)10-9-13(16(21)23-4-2)18-15(20)11-5-7-12(17)8-6-11/h5-8,13H,3-4,9-10,17H2,1-2H3,(H,18,20)/t13-/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-(4-aminobenzoyl)-, 1,5-diethyl ester
  • Glutamic acid, N-(p-aminobenzoyl)-, diethyl ester, L-
  • L-Glutamic acid, N-(4-aminobenzoyl)-, diethyl ester
  • Glutamic acid, N-(p-aminobenzoyl)-, diethyl ester
  • Diethyl p-aminobenzoyl-L-glutamate
  • 4-Aminobenzoyl-L-glutamic acid, diethyl ester
  • N-(4-Aminobenzoyl)-L-glutamic acid diethyl ester
  • NSC 82885
  • (S)-Diethyl 2-(4-aminobenzamido)pentanedioate

Work with 1,5-Diethyl N-(4-aminobenzoyl)-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

1,5-Diethyl N-[4-(methylamino)benzoyl]-L-glutamate2378-95-276 % similar N-(4-Aminobenzoyl)-L-glutamic acid4271-30-148 % similar Benzocaine94-09-745 % similar Diethyl L-glutamate hydrochloride1118-89-443 % similar Benzocaine hydrochloride23239-88-542 % similar Diethyl α-acetylglutarate1501-06-042 % similar Ethyl 2-piperidinecarboxylate15862-72-338 % similar Ethyl 2-piperidinecarboxylate35677-84-038 % similar

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

Same formula

Serotonin adipate16031-83-7 N-[3-[Bis[2-(acetyloxy)ethyl]amino]phenyl]acetamide27059-08-1 N-[3-(Acetylamino)phenyl]-N-(3-methoxy-3-oxopropyl)-β-alanine methyl ester61038-96-8 Ehida63245-28-3

Elsewhere

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