Dibenzyl L-glutamate hydrochloride

C19H22ClNO4CAS 4561-10-8363.84 g/mol

Open in Covalent MOL file
HClH2NOOOO
EsterPrimary amine

Properties

Molecular formula
C19H22ClNO4
Molar mass
363.84 g/mol
Exact mass
363.1237 Da
Melting point
95–97 °C
logP
3.00Crippen estimate
Polar surface area
78.6 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
8
Stereocentres
Sin SMILES atom order

Hazards

Not classified as hazardous under GHS. Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
4561-10-8
SMILES
Cl.N[C@@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1
InChIKey
GRGJVECUQLAEDM-LMOVPXPDSA-N
InChI
InChI=1S/C19H21NO4.ClH/c20-17(19(22)24-14-16-9-5-2-6-10-16)11-12-18(21)23-13-15-7-3-1-4-8-15;/h1-10,17H,11-14,20H2;1H/t17-;/m0./s1

Weigh it out

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

Names and synonyms

6 names
  • L-Glutamic acid, 1,5-bis(phenylmethyl) ester, hydrochloride (1:1)
  • Glutamic acid, dibenzyl ester, hydrochloride, L-
  • L-Glutamic acid, bis(phenylmethyl) ester, hydrochloride
  • Glutamic acid, dibenzyl ester, hydrochloride
  • Dibenzyl glutamate hydrochloride
  • (S)-Dibenzyl 2-aminopentanedioate hydrochloride

Work with Dibenzyl L-glutamate hydrochloride

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.

L-Glutamic acid dibenzyl ester p-toluenesulfonate2791-84-6Salt

Similar compounds

H-Glu(obzl)-otbu hcl105590-97-477 % similar Phenylalanine benzyl ester hydrochloride2462-32-069 % similar L-Glutamic acid alpha-benzyl ester13030-09-667 % similar γ-Benzyl L-glutamate1676-73-967 % similar 5-(Phenylmethyl) hydrogen D-glutamate2578-33-867 % similar H-D-Glu-obzl79338-14-067 % similar D-Serine benzyl ester hydrochloride151651-44-466 % similar L-Serine benzyl ester hydrochloride60022-62-066 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Naloxone hydrochloride357-08-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook