L-Valine | SBID = 1385 | Compound |
Structure
Molecular Properties
| Interactions: | 7 | ||
| PubChem TPSA/Å2: | 63.3 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | -2.3 | ||
| 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: | 94.4 | ||
| Sum Formula: | C5H11NO2 | ||
| M / g/mol: | 117.15 | ||
| Complexity: | 90.0 | ||
| Number of Conformers: | 8.0 |
Identifiers
- Tags: typical guest, amino acid
- Name: L-Valine
- Preferred Abbreviation: L-Val
- IUPAC Name: (2S)-2-amino-3-methylbutanoic acid
- CAS: 72-18-4
- CID: 6287
- InChiKey: KZSNJWFQEVHDMF-BYPYZUCNSA-N
- InChi: InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1
- CanoSmiles: CC(C)C(C(=O)O)N
- IsoSmiles: CC(C)[C@@H](C(=O)O)N
