chempirical

(S)-Alanine ethyl ester hydrochloride

C5H12ClNO2CAS 1115-59-9153.61 g/mol

Open in Covalent MOL file
OONH2HCl
EsterPrimary amine

Properties

Molecular formula
C5H12ClNO2
Molar mass
153.61 g/mol
Exact mass
153.0557 Da
Melting point
76 °C
logP
0.32Crippen estimate
Polar surface area
52.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
1115-59-9
SMILES
CCOC(=O)[C@H](C)N.Cl
InChIKey
JCXLZWMDXJFOOI-WCCKRBBISA-N
InChI
InChI=1S/C5H11NO2.ClH/c1-3-8-5(7)4(2)6;/h4H,3,6H2,1-2H3;1H/t4-;/m0./s1

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

Names and synonyms

7 names
  • L-Alanine, ethyl ester, hydrochloride (1:1)
  • L-Alanine, ethyl ester, hydrochloride
  • Alanine, ethyl ester, hydrochloride, L-
  • Ethyl L-alaninate hydrochloride
  • Ethyl (S)-alaninate hydrochloride
  • (S)-2-Aminopropionic acid ethyl ester hydrochloride
  • (S)-Ethyl 2-aminopropanoate hydrochloride

Work with (S)-Alanine ethyl 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

DL-α-Alanine ethyl ester hydrochloride617-27-6100 % similar (S)-Valine ethyl ester hydrochloride17609-47-164 % similar (±)-Valine ethyl ester hydrochloride23358-42-164 % similar Leucine ethyl ester hydrochloride2743-40-060 % similar Ethyl 2-amino-3-methylvalerate hydrochloride56782-52-658 % similar (±)-Alanine methyl ester hydrochloride13515-97-458 % similar (R)-2-Aminopropionic acid methyl ester hydrochloride14316-06-458 % similar Alanine methyl ester hydrochloride2491-20-558 % similar

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

Same formula

Methyl 4-aminobutyrate hydrochloride13031-60-2 (2S)-Morpholin-2-ylmethanol hydrochloride1313584-92-7 Propan-2-yl 2-aminoacetate hydrochloride14019-62-6 2-(Hydroxymethyl)morpholine hydrochloride144053-98-5 α-Aminoisobutyric acid methyl ester hydrochloride15028-41-8 (S)-2-(Aminomethyl)-1,4-dioxane Hydrochloride1523541-96-9 4,4-Dihydroxypiperidine hydrochloride40064-34-4 3-Aminopropionic acid ethyl ester hydrochloride4244-84-2

Elsewhere

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