5-aminovaleric acid | SBID = 1487 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 63.3 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | -2.6 | ||
| 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): | 0.0 | ||
| 3D Volume/Å3: | 95.2 | ||
| Sum Formula: | C5H11NO2 | ||
| M / g/mol: | 117.15 | ||
| Complexity: | 72.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags:
- Name: 5-aminovaleric acid
- Preferred Abbreviation: 5-Aminovaleric acid
- IUPAC Name: 5-aminopentanoic acid
- CAS: 660-88-8
- CID: 138
- InChiKey: JJMDCOVWQOJGCB-UHFFFAOYSA-N
- InChi: InChI=1S/C5H11NO2/c6-4-2-1-3-5(7)8/h1-4,6H2,(H,7,8)
- CanoSmiles: C(CCN)CC(=O)O
- IsoSmiles: C(CCN)CC(=O)O
