3-aminopropanoic acid | SBID = 2333 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 63.3 | ||
| Ertl TPSA/Å2: | 63.32 | ||
| Hydrophilicity (PubChem XLogP): | -3.0 | ||
| Hydrophilicity (Cheng XLogP3): | -2.05 | ||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 2.0 | ||
| Number of H-Bond Acceptors: | 3.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 69.2 | ||
| Sum Formula: | C3H7NO2 | ||
| M / g/mol: | 89.09 | ||
| Complexity: | 52.0 | ||
| Number of Conformers: | 8.0 |
Identifiers
- Tags:
- Name: 3-aminopropanoic acid
- Preferred Abbreviation: beta-alanine
- IUPAC Name: 3-aminopropanoic acid
- CAS:
- CID: 239
- InChiKey: UCMIRNVEIXFBKS-UHFFFAOYSA-N
- InChi: InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)
- CanoSmiles: C(CN)C(=O)O
- IsoSmiles: C(CN)C(=O)O
