N-Boc-D-Alanine | SBID = 92 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 75.6 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 0.9 | ||
| 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: | 145.3 | ||
| Sum Formula: | C8H15NO4 | ||
| M / g/mol: | 189.211 | ||
| Complexity: | 207.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags:
- Name: N-Boc-D-Alanine
- Preferred Abbreviation: N-Boc-D-Ala
- IUPAC Name: (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
- CAS: 7764-95-6
- CID: 637606
- InChiKey: QVHJQCGUWFKTSE-RXMQYKEDSA-N
- InChi: InChI=1S/C8H15NO4/c1-5(6(10)11)9-7(12)13-8(2,3)4/h5H,1-4H3,(H,9,12)(H,10,11)/t5-/m1/s1
- CanoSmiles: CC(C(=O)O)NC(=O)OC(C)(C)C
- IsoSmiles: C[C@H](C(=O)O)NC(=O)OC(C)(C)C
