N-Methyl-L-valine

C6H13NO2CAS 2480-23-1131.17 g/mol

Open in Covalent MOL file
NHOHO
Carboxylic acidSecondary amine

Properties

Molecular formula
C6H13NO2
Molar mass
131.17 g/mol
Exact mass
131.0946 Da
Melting point
290 °C
logP
0.32Crippen estimate
Polar surface area
49.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3
Stereocentres
Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P351+P338, P337+P317

Identifiers

CAS number
2480-23-1
SMILES
CN[C@H](C(=O)O)C(C)C
InChIKey
AKCRVYNORCOYQT-YFKPBYRVSA-N
InChI
InChI=1S/C6H13NO2/c1-4(2)5(7-3)6(8)9/h4-5,7H,1-3H3,(H,8,9)/t5-/m0/s1

Weigh it out

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

Names and synonyms

5 names
  • L-Valine, N-methyl-
  • Valine, N-methyl-, L-
  • NSC 89800
  • (S)-3-Methyl-2-(methylamino)butyric acid
  • (2S)-3-Methyl-2-(methylamino)butanoic acid

Work with N-Methyl-L-valine

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

(2R)-2-(Methylamino)propanoic acid29475-64-756 % similar N-Methyl-L-alanine3913-67-556 % similar Gly-D-val10521-49-050 % similar 2-(1-Methylethyl)propanedioic acid601-79-650 % similar Boc-D-valine22838-58-047 % similar Boc-dl-valine54895-12-447 % similar (S)-2-Hydroxy-3-methylbutanoic acid17407-55-546 % similar (+-)-2-Hydroxyisovaleric acid4026-18-046 % 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 D-tert-Leucine26782-71-8 D-Isoleucine319-78-8 D-Norleucine327-56-0

Elsewhere

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