L-α-Methylvaline

C6H13NO2CAS 53940-83-3131.18 g/mol

Open in Covalent MOL file
NH2OOH
Carboxylic acidPrimary amine

Properties

Molecular formula
C6H13NO2
Molar mass
131.18 g/mol
Exact mass
131.0946 Da
logP
0.44Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

Search the SDS library

Identifiers

CAS number
53940-83-3
SMILES
CC(C)[C@](C)(N)C(=O)O
InChIKey
GPYTYOMSQHBYTK-LURJTMIESA-N
InChI
InChI=1S/C6H13NO2/c1-4(2)6(3,7)5(8)9/h4H,7H2,1-3H3,(H,8,9)/t6-/m0/s1

Weigh it out

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

Names and synonyms

6 names
  • L-Valine, 2-methyl-
  • L-Isovaline, 3-methyl-
  • 2-Methyl-L-valine
  • (S)-α-Methylvaline
  • (S)-2-Methylvaline
  • (S)-2-Amino-2,3-dimethylbutanoic acid

Work with L-α-Methylvaline

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.

3-Methyl-D-isovaline53940-82-2Enantiomer

Similar compounds

2-Amino-2,3-dimethylbutyramide40963-14-255 % similar 2-Aminoisobutyric acid62-57-746 % similar Dimethylmalonic acid595-46-041 % similar Pivalic acid75-98-941 % similar 2-Methyl-L-serine16820-18-139 % similar D-Isovaline3059-97-039 % similar DL-Isovaline465-58-739 % similar 2-Methylserine5424-29-339 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Dimethylaminoethyl acetate1421-89-2 L-Alloisoleucine1509-34-8 D-Alloisoleucine1509-35-9 tert-Butyl methylcarbamate16066-84-5 L-tert-Leucine20859-02-3 N-Methyl-L-valine2480-23-1 D-tert-Leucine26782-71-8 D-Isoleucine319-78-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook