chempirical

N-Methyl-L-alanine

C4H9NO2CAS 3913-67-5103.12 g/mol

Open in Covalent MOL file
NHOOH
Carboxylic acidSecondary amine

Properties

Molecular formula
C4H9NO2
Molar mass
103.12 g/mol
Exact mass
103.0633 Da
Melting point
315–317 °C (decomposes)
logP
-0.32Crippen estimate
Polar surface area
49.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
3913-67-5
SMILES
CN[C@@H](C)C(=O)O
InChIKey
GDFAOVXKHJXLEI-VKHMYHEASA-N
InChI
InChI=1S/C4H9NO2/c1-3(5-2)4(6)7/h3,5H,1-2H3,(H,6,7)/t3-/m0/s1

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

Names and synonyms

8 names
  • L-Alanine, N-methyl-
  • Alanine, N-methyl-, L-
  • N-Methylalanine
  • α-(Methylamino)propionic acid
  • (S)-N-Methylalanine
  • 2-(Methylamino)propanoic acid
  • (S)-2-(Methylamino)propanoic acid
  • (2S)-2-(Methylamino)propanoic acid

Work with N-Methyl-L-alanine

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

N-Methyl-L-valine2480-23-156 % similar Methylmalonic acid516-05-246 % similar Isobutyric acid79-31-246 % similar N-Methyl-D-aspartic acid6384-92-545 % similar N-Methyl-L-glutamic acid35989-16-342 % similar D-Lactic acid10326-41-742 % similar Poly[(+)-lactic acid]106989-11-142 % similar Polylactic acid26100-51-642 % similar

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

Same formula

Ethyl N-methylcarbamate105-40-8 β-Aminoisobutyric acid10569-72-9 Ethyl N-hydroxyethanimidate10576-12-2 Dimethylglycine1118-68-9 2-Hydroxy-2-methylpropanamide13027-88-8 N-(2-Hydroxyethyl)acetamide142-26-7 3-Aminoisobutyric acid144-90-1 (+)-α-Aminobutyric acid1492-24-6

Elsewhere

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