D-Phenylalanine methyl ester HCl | SBID = 155 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 52.3 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| 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: | |||
| Sum Formula: | C10H14ClNO2 | ||
| M / g/mol: | 215.677 | ||
| Complexity: | 164.0 | ||
| Number of Conformers: | 0.0 |
Identifiers
- Tags: aminoacid derivative
- Name: D-Phenylalanine methyl ester HCl
- Preferred Abbreviation: D-Phe-Ala-methyl ester HCl
- IUPAC Name: methyl (2R)-2-amino-3-phenylpropanoate;hydrochloride
- CAS: 13033-84-6
- CID: 11481330
- InChiKey: SWVMLNPDTIFDDY-SBSPUUFOSA-N
- InChi: InChI=1S/C10H13NO2.ClH/c1-13-10(12)9(11)7-8-5-3-2-4-6-8;/h2-6,9H,7,11H2,1H3;1H/t9-;/m1./s1
- CanoSmiles: COC(=O)C(CC1=CC=CC=C1)N.Cl
- IsoSmiles: COC(=O)[C@@H](CC1=CC=CC=C1)N.Cl
