chempirical

1,5-Diethyl N-[4-(methylamino)benzoyl]-L-glutamate

C17H24N2O5CAS 2378-95-2336.39 g/mol

Open in Covalent MOL file
OONHONHOO
AmideEsterSecondary amine

Properties

Molecular formula
C17H24N2O5
Molar mass
336.39 g/mol
Exact mass
336.1685 Da
Melting point
88–89 °C
logP
1.73Crippen estimate
Polar surface area
93.7 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
9
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
2378-95-2
SMILES
CCOC(=O)CC[C@H](NC(=O)c1ccc(NC)cc1)C(=O)OCC
InChIKey
WBYNXAAEBPJETG-AWEZNQCLSA-N
InChI
InChI=1S/C17H24N2O5/c1-4-23-15(20)11-10-14(17(22)24-5-2)19-16(21)12-6-8-13(18-3)9-7-12/h6-9,14,18H,4-5,10-11H2,1-3H3,(H,19,21)/t14-/m0/s1

Weigh it out

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

Names and synonyms

8 names
  • L-Glutamic acid, N-[4-(methylamino)benzoyl]-, 1,5-diethyl ester
  • Glutamic acid, N-[p-(methylamino)benzoyl]-, diethyl ester, L-
  • L-Glutamic acid, N-[4-(methylamino)benzoyl]-, diethyl ester
  • Glutamic acid, N-[p-(methylamino)benzoyl]-, diethyl ester
  • N-(p-Methylaminobenzoyl)glutamic acid diethyl ester
  • Diethyl N-(p-N-methylaminobenzoyl)glutamate
  • Diethyl N-[4-(methylamino)benzoyl]-L-glutamate
  • (S)-Diethyl 2-(4-(methylamino)benzamido)pentanedioate

Work with 1,5-Diethyl N-[4-(methylamino)benzoyl]-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-aminobenzoyl)-L-glutamate13726-52-876 % similar Diethyl α-acetylglutarate1501-06-042 % similar Diethyl L-glutamate hydrochloride1118-89-441 % similar Ethyl 2-piperidinecarboxylate15862-72-338 % similar Ethyl 2-piperidinecarboxylate35677-84-038 % similar H-D-Pro-oet hcl131477-20-837 % similar Ethyl 3-phenylpropanoate2021-28-537 % similar Ethyl 4-acetyl-5-oxohexanoate2832-10-237 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook