L-phenylalanine amide | SBID = 149 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 69.1 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 0.1 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 2.0 | ||
| Number of H-Bond Acceptors: | 2.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 1.0 | ||
| 3D Volume/Å3: | 133.2 | ||
| Sum Formula: | C9H12N2O | ||
| M / g/mol: | 164.208 | ||
| Complexity: | 153.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: aminoacid derivative, typical guest
- Name: L-phenylalanine amide
- Preferred Abbreviation: L-phenylalanine amide
- IUPAC Name: (2S)-2-amino-3-phenylpropanamide
- CAS: 5241-58-7
- CID: 445694
- InChiKey: OBSIQMZKFXFYLV-QMMMGPOBSA-N
- InChi: InChI=1S/C9H12N2O/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H2,11,12)/t8-/m0/s1
- CanoSmiles: C1=CC=C(C=C1)CC(C(=O)N)N
- IsoSmiles: C1=CC=C(C=C1)C[C@@H](C(=O)N)N
