4-Nitro-D-phenylalanine | SBID = 1942 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 109.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | -1.2 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 2.0 | ||
| 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: | 156.6 | ||
| Sum Formula: | C9H10N2O4 | ||
| M / g/mol: | 210.19 | ||
| Complexity: | 243.0 | ||
| Number of Conformers: | 8.0 |
Identifiers
- Tags: aminoacid derivative
- Name: 4-Nitro-D-phenylalanine
- Preferred Abbreviation: 4-Nitro-D-phenylalanine
- IUPAC Name: (2R)-2-amino-3-(4-nitrophenyl)propanoic acid
- CAS: 56613-61-7
- CID: 679497
- InChiKey: GTVVZTAFGPQSPC-MRVPVSSYSA-N
- InChi: InChI=1S/C9H10N2O4/c10-8(9(12)13)5-6-1-3-7(4-2-6)11(14)15/h1-4,8H,5,10H2,(H,12,13)/t8-/m1/s1
- CanoSmiles: C1=CC(=CC=C1CC(C(=O)O)N)[N+](=O)[O-]
- IsoSmiles: C1=CC(=CC=C1C[C@H](C(=O)O)N)[N+](=O)[O-]
