Molecular properties
- Formula
- C4H8N2O3
- Molar mass
- 132.12 g·mol−1
- Exact mass
- 132.0535 Da
- 2
- 3
- 4
- 106.00 Ų
- -3.4 (PubChem computed XLogP3-AA descriptor)
- CAS
- 70-47-3
- PubChem CID
- 6267
Molecule record
asparagine
C4H8N2O3
132.12 g/mol
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
Amide
Amine
Carboxylic acid
Physical properties
| Property | Value | Conditions | Source |
|---|---|---|---|
| Logp | -3.4 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- (-)-asparagine
- (2S)-2,4-diamino-4-oxobutanoic acid
- (2S)-2-amino-3-carbamoylpropanoic acid
- (S)-2,4-diamino-4-oxobutanoic acid
- (S)-asparagine
- 2-Aminosuccinamic acid
- 2-aminosuccinamic acid, L-
- 70-47-3
Show all 23 synonyms
- Asparagine anhydrous
- Asparamide
- Aspartamic acid
- Aspartic acid amide
- Crystal VI
- L-2,4-diamino-4-oxobutanoic acid
- L-Asparagine anhydrous
- L-Aspartamine
- L-asparagine
- agedoite
- alpha-aminosuccinamic acid
- altheine
- asparagine acid
- aspartic acid beta-amide
- butanoic acid, 2,4-diamino-4-oxo-, (S)-
Structure identifiers
- Canonical SMILES
- C([C@@H](C(=O)O)N)C(=O)N
- Isomeric SMILES
- C([C@@H](C(=O)O)N)C(=O)N
- InChI
- InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1
- InChIKey
- DCXYFEDJOCDNAF-REOHCLBHSA-N
- PubChem CID
- 6267
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
Simulated FTIR trace
Predicted FTIR / %T
4 cm-1 resolution / deterministic instrument profile
Hover for cursor
Peak assignments
3350 cm−1broad O-H (simulated)
3000 cm−1broad acid O-H (simulated)
1710 cm−1C=O acid (simulated)
1660 cm−1amide C=O (simulated)
2960 cm−1sp3 C-H (simulated)
Simulated NMR
On-demand educational prediction for asparagine; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for asparagine; not experimental data.
Sources
Molecule identity
Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.
simulated IR
ChemForge original educational simulation.