2-Acetamido-3-Phenylpropanoate | SBID = 775 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 69.2 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 1.3 | ||
| 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: | 164.2 | ||
| Sum Formula: | C11H12NO3- | ||
| M / g/mol: | 206.22 | ||
| Complexity: | 229.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: typical guest, charged
- Name: 2-Acetamido-3-Phenylpropanoate
- Preferred Abbreviation: 2-Acetamido-3-Phenylpropanoate
- IUPAC Name: 2-acetamido-3-phenylpropanoate
- CAS:
- CID: 3583502
- InChiKey: CBQJSKKFNMDLON-UHFFFAOYSA-M
- InChi: InChI=1S/C11H13NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/p-1
- CanoSmiles: CC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]
- IsoSmiles: CC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]
