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Molecule record

aspartame

C14H18N2O5

294.30 g/mol

2D structure for aspartame

Molecular properties

Formula
C14H18N2O5
Molar mass
294.30 g·mol−1
Exact mass
294.1216 Da
7
3
6
119.00 Ų
-2.7 (PubChem computed XLogP3-AA descriptor)
CAS
22839-47-0
PubChem CID
134601

Interactions

Polarity
Often polar; exact polarity depends on size, substitution, and ionization state.
Acid-base behavior
Review ionizable groups and pKa data where available; ChemForge does not infer definitive acid-base state from identity alone.
Intermolecular forces
Assess dispersion, dipole interactions, hydrogen bonding, and ionic character from the functional groups shown.

Functional groups

Alcohol
Alkene
Amine
Aromatic ring
Carboxylic acid
Ether
Phenol

Physical properties

PropertyValueConditionsSource
Logp-2.7PubChem computed XLogP3-AA descriptorPubChem(link only)

Common names and synonyms

  • 1-Methyl N-L-alpha-aspartyl-L-phenylalanate
  • 22839-47-0
  • 3-Amino-N-(alpha-carboxyphenethyl)succinamic acid N-methyl ester
  • Asp-phe-ome
  • Aspartam
  • Aspartame (e951)
  • Aspartamo
  • Aspartamum
Show all 23 synonyms
  • Aspartylphenylalanine methyl ester
  • DTXSID0020107
  • Dipeptide sweetener
  • Equal
  • Ins no.951
  • L-Aspartyl-L-phenylalanine methyl ester
  • Methyl aspartylphenylalanate
  • N-L-alpha-Aspartyl-L-phenylalanine 1-methyl ester
  • Nutrasweet
  • Pal Sweet
  • SC 18862
  • SC-18862
  • Sladex
  • Sweet dipeptide
  • Zero-cal

Structure identifiers

Canonical SMILES
COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(=O)O)N
Isomeric SMILES
COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(=O)O)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
InChIKey
IAOZJIPTCAWIRG-QWRGUYRKSA-N
PubChem CID
134601

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library

IR spectrum

ChemArche Original Educational Content(redistributable)

Simulated FTIR trace

Predicted FTIR / %T

4 cm-1 resolution / deterministic instrument profile

Hover for cursor
4000350030002500200015001000500100500wavenumber (cm−1)transmittance (%)

Peak assignments

3350 cm−1broad O-H (simulated)
3000 cm−1broad acid O-H (simulated)
1710 cm−1C=O acid (simulated)
1645 cm−1C=C alkene (simulated)
3030 cm−1aromatic C-H (simulated)
1600 cm−1aromatic C=C (simulated)
1100 cm−1C-O ether (simulated)
2960 cm−1sp3 C-H (simulated)

Simulated NMR

On-demand educational prediction for aspartame; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for aspartame; not experimental data.

Sources

Molecule identity

Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)

simulated IR

ChemForge original educational simulation.

ChemArche Original Educational Content(redistributable)
Open source record