tBu Phe | SBID = 1342 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 63.3 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 0.2 | ||
| 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: | 180.2 | ||
| Sum Formula: | C13H19NO2 | ||
| M / g/mol: | 221.29 | ||
| Complexity: | 237.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags:
- Name: tBu Phe
- Preferred Abbreviation:
- IUPAC Name: 2-amino-3-(4-tert-butylphenyl)propanoic acid
- CAS: 98708-80-6
- CID: 4388029
- InChiKey: CSJZKSXYLTYFPU-UHFFFAOYSA-N
- InChi: InChI=1S/C13H19NO2/c1-13(2,3)10-6-4-9(5-7-10)8-11(14)12(15)16/h4-7,11H,8,14H2,1-3H3,(H,15,16)
- CanoSmiles: CC(C)(C)C1=CC=C(C=C1)CC(C(=O)O)N
- IsoSmiles: CC(C)(C)C1=CC=C(C=C1)CC(C(=O)O)N
