N-Acetyl-D-phenylalanine | SBID = 72 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 66.4 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 0.6 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| 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): | 1.0 | ||
| 3D Volume/Å3: | 164.5 | ||
| Sum Formula: | C11H13NO3 | ||
| M / g/mol: | 207.229 | ||
| Complexity: | 234.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: typical guest
- Name: N-Acetyl-D-phenylalanine
- Preferred Abbreviation: N-Acetyl-D-phenylalanine
- IUPAC Name: (2R)-2-acetamido-3-phenylpropanoic acid
- CAS: 10172-89-1
- CID: 101184
- InChiKey: CBQJSKKFNMDLON-SNVBAGLBSA-N
- 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)/t10-/m1/s1
- CanoSmiles: CC(=O)NC(CC1=CC=CC=C1)C(=O)O
- IsoSmiles: CC(=O)N[C@H](CC1=CC=CC=C1)C(=O)O
