(S)-Methyl 2,5-diaminopentanoate dihydrochloride

C₆H₁₆Cl₂N₂O₂CAS 40216-82-8219.11 g/mol

Open in Covalent MOL file

Ester Primary amine

Properties

Molecular formula: C₆H₁₆Cl₂N₂O₂
Molar mass: 219.11 g/mol
Exact mass: 218.0589 Da
logP: 0.07Crippen estimate
Polar surface area: 78.3 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 4
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

40216-82-8

SMILES

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

InChIKey

SNFZNVWAQDVFAK-XRIGFGBMSA-N

InChI

InChI=1S/C6H14N2O2.2ClH/c1-10-6(9)5(8)3-2-4-7;;/h5H,2-4,7-8H2,1H3;2*1H/t5-;;/m0../s1

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

Names and synonyms

3 names

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

Work with (S)-Methyl 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

Methyl L-lysinate dihydrochloride26348-70-991 % similar (S)-Ethyl 2,5-diaminopentanoate dihydrochloride84772-29-268 % similar Dimethyl L-glutamate hydrochloride23150-65-462 % similar Methionine methyl ester hydrochloride2491-18-162 % similar Dimethyl D-glutamate hydrochloride27025-25-862 % similar Lysine ethyl ester dihydrochloride3844-53-962 % similar 3-Chloro-D-alanine methyl ester,hydrochloride112346-82-458 % similar Methyl cysteinate hydrochloride18598-63-558 % similar

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

Same formula

Lysine dihydrochloride657-26-1

Elsewhere

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