acetylalaninate | SBID = 774 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | |||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | -1.0 | ||
| Number of H-Bond Donors: | 1.0 | ||
| Number of H-Bond Acceptors: | 4.0 | ||
| Number of Stereogenic Bonds (E/Z): | |||
| Number of Stereogenic Atoms (R/S): | |||
| 3D Volume/Å3: | |||
| Sum Formula: | C5H8NO3- | ||
| M / g/mol: | 130.12192 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: aminoacid derivative, charged
- Name: acetylalaninate
- Preferred Abbreviation: acetylalaninate
- IUPAC Name:
- CAS:
- CID: -223
- 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(=O)NC(C(=O)[O-])C
- IsoSmiles: CC(C(=O)[O-])NC(=O)C
