6-aminohexanoate | SBID = 1491 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 67.8 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | -2.3 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 1.0 | ||
| Number of H-Bond Acceptors: | 2.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 108.2 | ||
| Sum Formula: | C6H13NO2 | ||
| M / g/mol: | 131.17 | ||
| Complexity: | 77.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags:
- Name: 6-aminohexanoate
- Preferred Abbreviation: 6-aminohexanoate
- IUPAC Name: 6-azaniumylhexanoate
- CAS: 60-32-2
- CID: 517030
- InChiKey: SLXKOJJOQWFEFD-UHFFFAOYSA-N
- InChi: InChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9)
- CanoSmiles: C(CCC(=O)[O-])CC[NH3+]
- IsoSmiles: C(CCC(=O)[O-])CC[NH3+]
