chempirical

Alanine β-naphthylamide

C13H14N2OCAS 720-82-1214.27 g/mol

Open in Covalent MOL file
H2NOHN
Primary amine

Properties

Molecular formula
C13H14N2O
Molar mass
214.27 g/mol
Exact mass
214.1106 Da
logP
2.77Crippen estimate
Polar surface area
58.6 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
720-82-1
SMILES
C[C@H](N)C(O)=Nc1ccc2ccccc2c1
InChIKey
RQHPADKWNYTHOH-VIFPVBQESA-N
InChI
InChI=1S/C13H14N2O/c1-9(14)13(16)15-12-7-6-10-4-2-3-5-11(10)8-12/h2-9H,14H2,1H3,(H,15,16)/t9-/m0/s1

Weigh it out

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

Names and synonyms

16 names · show all
  • Propanamide, 2-amino-N-2-naphthalenyl-, (2S)-
  • Propionamide, 2-amino-N-2-naphthyl-, L-
  • Propanamide, 2-amino-N-2-naphthalenyl-, (S)-
  • (2S)-2-Amino-N-2-naphthalenylpropanamide
  • L-Alanyl-β-naphthylamide
  • N-Alanyl-β-naphthylamide
  • L-Alanine-β-naphthylamide
  • N-L-Alanyl-2-naphthylamine
  • Alanyl-β-naphthylamide
  • Alanine 2-naphthylamide
  • L-Alanine 2-naphthylamide
  • L-Alanyl-2-naphthylamide
  • (S)-Alanine-β-naphthylamine
  • MC 005556
  • (2S)-2-Amino-N-naphthalen-2-ylpropanamide
  • (2S)-2-Amino-N-(naphthalen-2-yl)propanamide

Work with Alanine β-naphthylamide

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

Leucine-2-naphthylamide hydrochloride893-36-760 % similar Pyrrolidonyl-β-naphthylamide22155-91-551 % similar Tocainide41708-72-949 % similar N-2-Naphthalenyl-L-glutamine14525-44-144 % similar 3-Hydroxy-N-2-naphthalenyl-2-naphthalenecarboxamide135-64-843 % similar 2-Methyl-N-[3-(trifluoromethyl)phenyl]propanamide1939-27-141 % similar Alanylphenylalanine1999-45-740 % similar L-Alanyl-L-phenylalanine3061-90-340 % similar

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

Same formula

Harmaline304-21-2 6-Methoxyharmalan3589-73-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook