Molecular properties
- Formula
- C4H7NO4
- Molar mass
- 133.10 g·mol−1
- Exact mass
- 133.0375 Da
- 2
- 3
- 5
- 101.00 Ų
- -2.8 (PubChem computed XLogP3-AA descriptor)
- CAS
- 56-84-8
- PubChem CID
- 5960
Molecule record
aspartic acid
C4H7NO4
133.10 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
Amine
Carboxylic acid
Physical properties
| Property | Value | Conditions | Source |
|---|---|---|---|
| Logp | -2.8 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- (2S)-2-aminobutanedioic acid
- (S)-2-Aminosuccinic acid
- (S)-Aminobutanedioic acid
- (S)-Aspartic acid
- 2-aminosuccinic acid
- 56-84-8
- Acide aspartique
- Acido aspartico
Show all 22 synonyms
- Acidum asparticum
- Aminosuccinic acid
- Asparagic acid
- Asparaginic acid
- Asparaginsaeure
- Aspartic acid, L-
- Butanedioic acid, amino-, (S)-
- Deamidated asparagine
- L-(+)-Aspartic acid
- L-Aminosuccinic acid
- L-Asparagic acid
- L-Asparaginic acid
- L-Asparaginsaeure
- L-aspartic acid
Structure identifiers
- Canonical SMILES
- C([C@@H](C(=O)O)N)C(=O)O
- Isomeric SMILES
- C([C@@H](C(=O)O)N)C(=O)O
- InChI
- InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1
- InChIKey
- CKLJMWTZIZZHCS-REOHCLBHSA-N
- PubChem CID
- 5960
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)
2960 cm−1sp3 C-H (simulated)
Simulated NMR
On-demand educational prediction for aspartic acid; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for aspartic acid; 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.