(2R)-2-acetamido-3-(4-hydroxyphenyl)propanoic acid | SBID = 75 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 86.6 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | -0.2 | ||
| 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: | 172.5 | ||
| Sum Formula: | C11H13NO4 | ||
| M / g/mol: | 223.228 | ||
| Complexity: | 259.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: aminoacid derivative, typical guest
- Name: (2R)-2-acetamido-3-(4-hydroxyphenyl)propanoic acid
- Preferred Abbreviation: N-acetyl-D-tyrosine
- IUPAC Name: (2R)-2-acetamido-3-(4-hydroxyphenyl)propanoic acid
- CAS: 19764-32-0
- CID: 853750
- InChiKey: CAHKINHBCWCHCF-SNVBAGLBSA-N
- InChi: InChI=1S/C11H13NO4/c1-7(13)12-10(11(15)16)6-8-2-4-9(14)5-3-8/h2-5,10,14H,6H2,1H3,(H,12,13)(H,15,16)/t10-/m1/s1
- CanoSmiles: CC(=O)NC(CC1=CC=C(C=C1)O)C(=O)O
- IsoSmiles: CC(=O)N[C@H](CC1=CC=C(C=C1)O)C(=O)O
