Methyl L-valinate hydrochloride

C6H14ClNO2CAS 6306-52-1167.63 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
146–149 °C
logP
0.56Crippen estimate
Polar surface area
52.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2
Stereocentres
Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
6306-52-1
SMILES
COC(=O)[C@@H](N)C(C)C.Cl
InChIKey
KUGLDBMQKZTXPW-JEDNCBNOSA-N
InChI
InChI=1S/C6H13NO2.ClH/c1-4(2)5(7)6(8)9-3;/h4-5H,7H2,1-3H3;1H/t5-;/m0./s1

Weigh it out

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

Names and synonyms

11 names
  • L-Valine, methyl ester, hydrochloride (1:1)
  • L-Valine, methyl ester, hydrochloride
  • Valine, methyl ester, hydrochloride, L-
  • Valine methyl ester hydrochloride
  • NSC 197198
  • NSC 22920
  • Methyl (S)-2-amino-3-methylbutanoate hydrochloride
  • Methyl (S)-valinate hydrochloride
  • Methyl valinate hydrochloride
  • (S)-Valine methyl ester hydrochloride
  • Methyl L-valine hydrochloride

Work with Methyl L-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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Methyl D-valinate hydrochloride7146-15-8Enantiomer Methyl D-valinate hydrochloride21685-47-2Enantiomer Methyl DL-valinate hydrochloride5619-05-6Stereo not defined

Similar compounds

Methyl L-threoninate hydrochloride39994-75-766 % similar Methyl isoleucinate hydrochloride18598-74-862 % similar tert-Butyl (2S)-2-amino-3-methylbutanoate hydrochloride13518-40-661 % 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

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 Methyl 5-aminopentanoate hydrochloride29840-56-0 L-Alanine isopropyl ester hydrochloride39825-33-7 L-Alanine isopropyl ester hydrochloride62062-65-1 4-Aminobutyric acid ethyl ester hydrochloride6937-16-2

Elsewhere

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