L-Alanine | SBID = 1384 | Compound |
Structure
Molecular Properties
| Interactions: | 9 | ||
| PubChem TPSA/Å2: | 63.3 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | -3.0 | ||
| 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: | 68.8 | ||
| Sum Formula: | C3H7NO2 | ||
| M / g/mol: | 89.09 | ||
| Complexity: | 61.0 | ||
| Number of Conformers: | 3.0 |
Identifiers
- Tags: typical guest, amino acid
- Name: L-Alanine
- Preferred Abbreviation: L-Alanine
- IUPAC Name: (2S)-2-aminopropanoic acid
- CAS: 56-41-7
- CID: 5950
- InChiKey: QNAYBMKLOCPYGJ-REOHCLBHSA-N
- InChi: InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1
- CanoSmiles: CC(C(=O)O)N
- IsoSmiles: C[C@@H](C(=O)O)N
