N-t-Boc-L-Alanine methyl ester | SBID = 95 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 64.6 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 0.8 | ||
| 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: | 158.9 | ||
| Sum Formula: | C9H17NO4 | ||
| M / g/mol: | 203.238 | ||
| Complexity: | 219.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: aminoacid derivative
- Name: N-t-Boc-L-Alanine methyl ester
- Preferred Abbreviation: Boc-L-Ala-OMe
- IUPAC Name: methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
- CAS: 28875-17-4
- CID: 10856577
- InChiKey: GJDICGOCZGRDFM-LURJTMIESA-N
- InChi: InChI=1S/C9H17NO4/c1-6(7(11)13-5)10-8(12)14-9(2,3)4/h6H,1-5H3,(H,10,12)/t6-/m0/s1
- CanoSmiles: CC(C(=O)OC)NC(=O)OC(C)(C)C
- IsoSmiles: C[C@@H](C(=O)OC)NC(=O)OC(C)(C)C
