chempirical

Methyl DL-valinate hydrochloride

C6H14ClNO2CAS 5619-05-6167.63 g/mol

Open in Covalent MOL file
OONH2HCl
EsterPrimary amine

Properties

Molecular formula
C6H14ClNO2
Molar mass
167.63 g/mol
Exact mass
167.0713 Da
Melting point
120–122 °C
logP
0.56Crippen estimate
Polar surface area
52.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
5619-05-6
SMILES
COC(=O)C(N)C(C)C.Cl
InChIKey
KUGLDBMQKZTXPW-UHFFFAOYSA-N
InChI
InChI=1S/C6H13NO2.ClH/c1-4(2)5(7)6(8)9-3;/h4-5H,7H2,1-3H3;1H

Weigh it out

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

Names and synonyms

6 names
  • Valine, methyl ester, hydrochloride (1:1)
  • Valine, methyl ester, hydrochloride, DL-
  • DL-Valine, methyl ester, hydrochloride
  • Valine, methyl ester, hydrochloride
  • NSC 32111
  • Methyl 2-amino-3-methylbutanoate hydrochloride

Work with Methyl DL-valinate 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 L-threoninate hydrochloride39994-75-766 % similar Methyl isoleucinate hydrochloride18598-74-862 % similar (S)-Valine ethyl ester hydrochloride17609-47-161 % similar (±)-Valine ethyl ester hydrochloride23358-42-161 % similar (±)-Alanine methyl ester hydrochloride13515-97-460 % similar (R)-2-Aminopropionic acid methyl ester hydrochloride14316-06-460 % similar Alanine methyl ester hydrochloride2491-20-560 % similar (2R)-2-Amino-3-methylbutanamide hydrochloride133170-58-852 % similar

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

Same formula

Ethyl α-aminoisobutyrate hydrochloride17288-15-2 Glycine tert-butyl ester hydrochloride27532-96-3 L-Alanine isopropyl ester hydrochloride62062-65-1 Methyl L-valinate hydrochloride6306-52-1 4-Aminobutyric acid ethyl ester hydrochloride6937-16-2 N-tert-Butylglycine hydrochloride6939-23-7 Methyl D-valinate hydrochloride7146-15-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook