O-Benzyl-L-Serine | SBID = 91 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 72.6 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | -2.0 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 2.0 | ||
| 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: | 154.1 | ||
| Sum Formula: | C10H13NO3 | ||
| M / g/mol: | 195.218 | ||
| Complexity: | 178.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: aminoacid derivative
- Name: O-Benzyl-L-Serine
- Preferred Abbreviation: O-Benzyl-L-Ser
- IUPAC Name: (2S)-2-amino-3-phenylmethoxypropanoic acid
- CAS: 4726-96-9
- CID: 78457
- InChiKey: IDGQXGPQOGUGIX-VIFPVBQESA-N
- InChi: InChI=1S/C10H13NO3/c11-9(10(12)13)7-14-6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1
- CanoSmiles: C1=CC=C(C=C1)COCC(C(=O)O)N
- IsoSmiles: C1=CC=C(C=C1)COC[C@@H](C(=O)O)N
