Molecular properties
- Formula
- C3H7NO2
- Molar mass
- 89.09 g·mol−1
- Exact mass
- 89.0477 Da
- 1
- 2
- 3
- 63.30 Ų
- -3 (PubChem computed XLogP3-AA descriptor)
- CAS
- 56-41-7
- PubChem CID
- 5950
Molecule record
alanine
C3H7NO2
89.09 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 | -3 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- (2S)-2-Aminopropanoic acid
- (2S)-2-aminopropanoate
- (S)-2-Aminopropanoic acid
- (S)-Alanine
- 2-Aminopropionic acid
- 2-Ammoniopropanoate
- 56-41-7
- ALANINE, L-
Show all 22 synonyms
- Alaninum
- CHEBI:16977
- L-(+)-Alanine
- L-2-Aminopropanoic acid
- L-2-Aminopropionic acid
- L-S-Aminopropionic acid
- L-alanine
- L-alpha-Aminopropionic acid
- L-alpha-alanine
- NSC-206315
- OF5P57N2ZX
- Propanoic acid, 2-amino-, (S)-
- alanina
- alpha-Aminopropionic acid
Structure identifiers
- Canonical SMILES
- C[C@@H](C(=O)O)N
- Isomeric SMILES
- C[C@@H](C(=O)O)N
- InChI
- InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1
- InChIKey
- QNAYBMKLOCPYGJ-REOHCLBHSA-N
- PubChem CID
- 5950
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 alanine; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for alanine; not experimental data.
Related molecules
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.