2-Acetamidopropanoate (Ac-L-Ala-O-) | SBID = 763 | Compound |
Structure
Molecular Properties
| Interactions: | 8 | ||
| PubChem TPSA/Å2: | 69.2 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | -0.2 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | -1.0 | ||
| Number of H-Bond Donors: | 1.0 | ||
| Number of H-Bond Acceptors: | 3.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 1.0 | ||
| 3D Volume/Å3: | 100.6 | ||
| Sum Formula: | C5H8NO3- | ||
| M / g/mol: | 130.12 | ||
| Complexity: | 127.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: anion, typical guest, charged
- Name: 2-Acetamidopropanoate (Ac-L-Ala-O-)
- Preferred Abbreviation: 2-Acetamidopropanoate
- IUPAC Name: 2-acetamidopropanoate
- CAS:
- CID: 18764698
- InChiKey: KTHDTJVBEPMMGL-UHFFFAOYSA-M
- InChi: InChI=1S/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)/p-1
- CanoSmiles: CC(C(=O)[O-])NC(=O)C
- IsoSmiles: CC(C(=O)[O-])NC(=O)C
