methyl 2-amino-3-(4-methoxyphenyl)propanoate | SBID = 760 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 61.6 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 1.2 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 1.0 | ||
| 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: | 166.9 | ||
| Sum Formula: | C11H15NO3 | ||
| M / g/mol: | 209.24 | ||
| Complexity: | 200.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: aminoacid derivative
- Name: methyl 2-amino-3-(4-methoxyphenyl)propanoate
- Preferred Abbreviation: methyl 2-amino-3-(4-methoxyphenyl)propanoate
- IUPAC Name: methyl (2S)-2-amino-3-(4-methoxyphenyl)propanoate
- CAS:
- CID: 10856719
- InChiKey: USYGMXDJUAQNGU-JTQLQIEISA-N
- InChi: InChI=1S/C11H15NO3/c1-14-9-5-3-8(4-6-9)7-10(12)11(13)15-2/h3-6,10H,7,12H2,1-2H3/t10-/m0/s1
- CanoSmiles: COC1=CC=C(C=C1)CC(C(=O)OC)N
- IsoSmiles: COC1=CC=C(C=C1)C[C@@H](C(=O)OC)N
