L-tert-Leucine methyl ester hydrochloride

C7H16ClNO2CAS 63038-27-7181.66 g/mol

Open in Covalent MOL file
OONH2HCl
EsterPrimary amine

Properties

Molecular formula
C7H16ClNO2
Molar mass
181.66 g/mol
Exact mass
181.0870 Da
logP
0.95Crippen estimate
Polar surface area
52.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1
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
63038-27-7
SMILES
COC(=O)[C@@H](N)C(C)(C)C.Cl
InChIKey
HRTQWUHFSXVRPY-NUBCRITNSA-N
InChI
InChI=1S/C7H15NO2.ClH/c1-7(2,3)5(8)6(9)10-4;/h5H,8H2,1-4H3;1H/t5-;/m1./s1

Weigh it out

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

Names and synonyms

6 names
  • L-Valine, 3-methyl-, methyl ester, hydrochloride (1:1)
  • L-Valine, 3-methyl-, methyl ester, hydrochloride
  • Methyl (2S)-2-amino-3,3-dimethylbutanoate hydrochloride
  • Methyl (S)-2-amino-3,3-dimethylbutanoate hydrochloride
  • L-tert-Butylglycine methyl ester hydrochloride
  • Methyl L-tert-leucinate hydrochloride

Work with L-tert-Leucine methyl 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

Methyl 3,3,3-trifluoroalaninate27240-44-456 % similar O-tert-Butyl-L-serine methyl ester hydrochloride17114-97-554 % similar (R)-Methyl 2-amino-3-(tert-butoxy)propanoate hydrochloride78537-14-154 % similar (±)-Alanine methyl ester hydrochloride13515-97-453 % similar (R)-2-Aminopropionic acid methyl ester hydrochloride14316-06-453 % similar Alanine methyl ester hydrochloride2491-20-553 % similar L-tert-Leucinamide hydrochloride75158-12-253 % similar Methyl (2S,3R)-2-amino-3-(tert-butoxy)butanoate hydrochloride71989-43-053 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

tert-Butyl alaninate hydrochloride13404-22-3 (S)-Valine ethyl ester hydrochloride17609-47-1 Methyl isoleucinate hydrochloride18598-74-8 L-Beta-homoisoleucine hydrochloride219310-10-8 (±)-Valine ethyl ester hydrochloride23358-42-1 N-Me-val-ome hcl3339-44-4 L-Norvaline, ethyl ester, hydrochloride (1:1)40918-51-2 Sarcosine t-butyl ester hydrochloride5616-81-9

Elsewhere

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