AM Phe | SBID = 1337 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 89.3 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | -2.7 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 3.0 | ||
| Number of H-Bond Acceptors: | 4.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 1.0 | ||
| 3D Volume/Å3: | 154.0 | ||
| Sum Formula: | C10H14N2O2 | ||
| M / g/mol: | 194.23 | ||
| Complexity: | 189.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags:
- Name: AM Phe
- Preferred Abbreviation:
- IUPAC Name: (2S)-2-amino-3-[4-(aminomethyl)phenyl]propanoic acid
- CAS: 1991-96-4
- CID: 150955
- InChiKey: GNVNKFUEUXUWDV-VIFPVBQESA-N
- InChi: InChI=1S/C10H14N2O2/c11-6-8-3-1-7(2-4-8)5-9(12)10(13)14/h1-4,9H,5-6,11-12H2,(H,13,14)/t9-/m0/s1
- CanoSmiles: C1=CC(=CC=C1CC(C(=O)O)N)CN
- IsoSmiles: C1=CC(=CC=C1C[C@@H](C(=O)O)N)CN
