L-Aspartic acid diethyl ester hydrochloride

C₈H₁₆ClNO₄CAS 16115-68-7225.67 g/mol

Open in Covalent MOL file

Ester Primary 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 Å²
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

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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

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