(S)-Ethyl 2,5-diaminopentanoate dihydrochloride

C₇H₁₈Cl₂N₂O₂CAS 84772-29-2233.13 g/mol

Open in Covalent MOL file

Ester Primary amine

Properties

Molecular formula: C₇H₁₈Cl₂N₂O₂
Molar mass: 233.13 g/mol
Exact mass: 232.0745 Da
logP: 0.46Crippen estimate
Polar surface area: 78.3 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 5
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

84772-29-2

SMILES

CCOC(=O)[C@@H](N)CCCN.Cl.Cl

InChIKey

FGDABGPSQJJTDH-ILKKLZGPSA-N

InChI

InChI=1S/C7H16N2O2.2ClH/c1-2-11-7(10)6(9)4-3-5-8;;/h6H,2-5,8-9H2,1H3;2*1H/t6-;;/m0../s1

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

Names and synonyms

2 names

L-Ornithine, ethyl ester, hydrochloride (1:2)
L-Ornithine, ethyl ester, dihydrochloride

Work with (S)-Ethyl 2,5-diaminopentanoate dihydrochloride

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

Lysine ethyl ester dihydrochloride3844-53-991 % similar L-Norvaline, ethyl ester, hydrochloride (1:1)40918-51-269 % similar (S)-Methyl 2,5-diaminopentanoate dihydrochloride40216-82-868 % similar Diethyl L-glutamate hydrochloride1118-89-464 % similar L-Methionine O-ethyl ester hydrochloride2899-36-764 % similar L-Seryl ethyl ester hydrochloride26348-61-861 % similar Ethyl cysteinate hydrochloride868-59-761 % similar Arginine ethyl ester dihydrochloride36589-29-460 % similar

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

Same formula

Methyl L-lysinate dihydrochloride26348-70-9

Elsewhere

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