L-Leucine | SBID = 1386 | Compound |
Structure
Molecular Properties
| Interactions: | 5 | ||
| PubChem TPSA/Å2: | 63.3 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | -1.5 | ||
| 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: | 106.0 | ||
| Sum Formula: | C6H13NO2 | ||
| M / g/mol: | 131.17 | ||
| Complexity: | 101.0 | ||
| Number of Conformers: | 3.0 |
Identifiers
- Tags: amino acid, typical guest
- Name: L-Leucine
- Preferred Abbreviation: L-Leu
- IUPAC Name: (2S)-2-amino-4-methylpentanoic acid
- CAS: 61-90-5
- CID: 6106
- InChiKey: ROHFNLRQFUQHCH-YFKPBYRVSA-N
- InChi: InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1
- CanoSmiles: CC(C)CC(C(=O)O)N
- IsoSmiles: CC(C)C[C@@H](C(=O)O)N
