L-Aspartic acid diethyl ester hydrochloride

C8H16ClNO4CAS 16115-68-7225.67 g/mol

Open in Covalent MOL file
OOOONH2HCl
EsterPrimary amine

Properties

Molecular formula
C8H16ClNO4
Molar mass
225.67 g/mol
Exact mass
225.0768 Da
logP
0.25Crippen estimate
Polar surface area
78.6 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
5
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

Search the SDS library

Identifiers

CAS number
16115-68-7
SMILES
CCOC(=O)C[C@@H](C(=O)OCC)N.Cl
InChIKey
AJOXZAAREAYBQR-RGMNGODLSA-N
InChI
InChI=1S/C8H15NO4.ClH/c1-3-12-7(10)5-6(9)8(11)13-4-2;/h6H,3-5,9H2,1-2H3;1H/t6-;/m0./s1

Weigh it out

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

Names and synonyms

1 names
  • H-Asp(oet)-oet hcl

Work with L-Aspartic acid diethyl ester 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

Similar compounds

Diethyl L-glutamate hydrochloride1118-89-472 % similar L-Seryl ethyl ester hydrochloride26348-61-864 % similar L-Norvaline, ethyl ester, hydrochloride (1:1)40918-51-264 % similar Ethyl cysteinate hydrochloride868-59-764 % similar Leucine ethyl ester hydrochloride2743-40-062 % similar L-Methionine O-ethyl ester hydrochloride2899-36-759 % similar H-D-Met-oet hcl7512-43-859 % similar (S)-Ethyl 2,5-diaminopentanoate dihydrochloride84772-29-259 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook