chempirical

Ethyl 2-amino-3-methylvalerate hydrochloride

C8H18ClNO2CAS 56782-52-6195.69 g/mol

Open in Covalent MOL file
OONH2HCl
EsterPrimary amine

Properties

Molecular formula
C8H18ClNO2
Molar mass
195.69 g/mol
Exact mass
195.1026 Da
logP
1.34Crippen estimate
Polar surface area
52.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4
Stereocentres
S, Sin SMILES atom order

Identifiers

CAS number
56782-52-6
SMILES
CCOC(=O)[C@@H](N)[C@@H](C)CC.Cl
InChIKey
QQGRWNMNWONMOO-LEUCUCNGSA-N
InChI
InChI=1S/C8H17NO2.ClH/c1-4-6(3)7(9)8(10)11-5-2;/h6-7H,4-5,9H2,1-3H3;1H/t6-,7-;/m0./s1

Weigh it out

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

Names and synonyms

4 names
  • L-Isoleucine, ethyl ester, hydrochloride (1:1)
  • L-Isoleucine, ethyl ester, hydrochloride
  • Isoleucine ethyl ester hydrochloride
  • Ethyl L-isoleucinate hydrochloride

Work with Ethyl 2-amino-3-methylvalerate 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

Methyl isoleucinate hydrochloride18598-74-869 % similar (S)-Valine ethyl ester hydrochloride17609-47-169 % similar (±)-Valine ethyl ester hydrochloride23358-42-169 % similar 1,3-Diethyl 2-(1-methylpropyl)propanedioate83-27-260 % similar (S)-Alanine ethyl ester hydrochloride1115-59-958 % similar DL-α-Alanine ethyl ester hydrochloride617-27-658 % similar H-Ile-nh2 hcl10466-56-557 % similar Diethyl aminomalonate6829-40-953 % similar

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

Same formula

N-Me-ala-otbu hcl103614-40-0 Carpronium chloride13254-33-6 Leucine ethyl ester hydrochloride2743-40-0

Elsewhere

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