(2R)-2-(phenylmethoxycarbonylamino)propanoic acid | SBID = 112 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 75.6 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 1.4 | ||
| 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: | 173.3 | ||
| Sum Formula: | C11H13NO4 | ||
| M / g/mol: | 223.228 | ||
| Complexity: | 248.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags:
- Name: (2R)-2-(phenylmethoxycarbonylamino)propanoic acid
- Preferred Abbreviation: N-Cbz-D-alanine
- IUPAC Name: (2R)-2-(phenylmethoxycarbonylamino)propanoic acid
- CAS: 26607-51-2
- CID: 70832
- InChiKey: TYRGLVWXHJRKMT-MRVPVSSYSA-N
- InChi: InChI=1S/C11H13NO4/c1-8(10(13)14)12-11(15)16-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,15)(H,13,14)/t8-/m1/s1
- CanoSmiles: CC(C(=O)O)NC(=O)OCC1=CC=CC=C1
- IsoSmiles: C[C@H](C(=O)O)NC(=O)OCC1=CC=CC=C1
