L-3,4-Dihydroxyphenylalanine | SBID = 372 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 104.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | -2.7 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 4.0 | ||
| Number of H-Bond Acceptors: | 5.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 1.0 | ||
| 3D Volume/Å3: | 147.5 | ||
| Sum Formula: | C9H11NO4 | ||
| M / g/mol: | 197.19 | ||
| Complexity: | 209.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: drug, typical guest
- Name: L-3,4-Dihydroxyphenylalanine
- Preferred Abbreviation: L-3,4-Dihydroxyphenylalanine
- IUPAC Name: (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid
- CAS: 59-92-7
- CID: 6047
- InChiKey: WTDRDQBEARUVNC-LURJTMIESA-N
- InChi: InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1
- CanoSmiles: C1=CC(=C(C=C1CC(C(=O)O)N)O)O
- IsoSmiles: C1=CC(=C(C=C1C[C@@H](C(=O)O)N)O)O
