chempirical

Beta-methylamino-L-alanine

C4H10N2O2CAS 15920-93-1118.14 g/mol

Open in Covalent MOL file
NHNH2OOH
Carboxylic acidPrimary amineSecondary amine

Properties

Molecular formula
C4H10N2O2
Molar mass
118.14 g/mol
Exact mass
118.0742 Da
logP
-1.38Crippen estimate
Polar surface area
75.3 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
3
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
15920-93-1
SMILES
CNC[C@H](N)C(=O)O
InChIKey
UJVHVMNGOZXSOZ-VKHMYHEASA-N
InChI
InChI=1S/C4H10N2O2/c1-6-2-3(5)4(7)8/h3,6H,2,5H2,1H3,(H,7,8)/t3-/m0/s1

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Names and synonyms

9 names
  • L-Alanine, 3-(methylamino)-
  • Propionic acid, 2-amino-3-(methylamino)-, L-
  • 3-(Methylamino)-L-alanine
  • L-α-Amino-β-(methylamino)propionic acid
  • β-(N-Methylamino)-L-alanine
  • L-(β-Methylamino)alanine
  • S(+)-β-Methyl-α,β-diaminopropionic acid
  • BMMA
  • β-Methylamino-L-alanine

Work with Beta-methylamino-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

Albizziin1483-07-456 % similar L-Lysine, N6-methyl-, hydrochloride (1:1)7622-29-956 % similar (+)-α-Aminobutyric acid1492-24-655 % similar D-α-Aminobutyric acid2623-91-855 % similar α-Aminobutyric acid2835-81-655 % similar Selenocystine29621-88-355 % similar α-Aminobutyric acid80-60-455 % similar Dencichine5302-45-453 % similar

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

Same formula

L-2,4-Diaminobutyric acid1758-80-1 N-(2-Aminoethyl)glycine24123-14-6

Elsewhere

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