chempirical

Aspartame

C14H18N2O5CAS 22839-47-0294.31 g/mol

Open in Covalent MOL file
OONHONH2OOH
Carboxylic acidEsterPrimary amine

Properties

Molecular formula
C14H18N2O5
Molar mass
294.31 g/mol
Exact mass
294.1216 Da
Melting point
246–247 °C
logP
0.53Crippen estimate
Polar surface area
122.2 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
7
Stereocentres
S, Sin SMILES atom order

Identifiers

CAS number
22839-47-0
SMILES
COC(=O)[C@H](Cc1ccccc1)N=C(O)[C@@H](N)CC(=O)O
InChIKey
IAOZJIPTCAWIRG-QWRGUYRKSA-N
InChI
InChI=1S/C14H18N2O5/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18)/t10-,11-/m0/s1

Weigh it out

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

Names and synonyms

25 names · show all
  • L-Phenylalanine, L-α-aspartyl-, 2-methyl ester
  • Succinamic acid, 3-amino-N-(α-carboxyphenethyl)-, N-methyl ester, stereoisomer
  • L-Phenylalanine, N-L-α-aspartyl-, 1-methyl ester
  • L-Aspartyl-L-phenylalanine methyl ester
  • Aspartylphenylalanine methyl ester
  • L-α-Aspartyl-L-phenylalanine methyl ester
  • L-Aspartyl-L-3-phenylalanine methyl ester
  • α-L-Aspartyl-L-phenylalanine methyl ester
  • Methyl aspartylphenylalanate
  • Sweet dipeptide
  • L-Aspartyl-L-phenylalanyl methyl ester
  • Canderel
  • Dipeptide sweetener
  • α-Sweet
  • NutraSweet
  • Palsweet diet
  • E 951
  • Pal sweet
  • Equal
  • α-Aspartame
  • L-Aspartame
  • Finn
  • Zero-cal
  • Sladex
  • Pal sweet diet G 100

Work with Aspartame

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

L-Aspartyl-L-phenylalanine13433-09-571 % similar Neotame165450-17-963 % similar Phenylalanine methyl ester2577-90-455 % similar L-Phenylalanyl-L-phenylalanine2577-40-455 % similar Methyl L-aspartate17812-32-752 % similar 1-Methyl hydrogen D-aspartate65414-78-052 % similar Methyl (R)-phenylalaninate hydrochloride13033-84-652 % similar (±)-Phenylalanine methyl ester hydrochloride5619-07-852 % similar

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

Same formula

N-[(Phenylmethoxy)carbonyl]-L-alanyl-L-alanine16012-70-7 6,7-Bis(2-methoxyethoxy)quinazolin-4(3H)-one179688-29-0 Musk ketone81-14-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia