8-aminooctanoic acid | SBID = 1627 | Compound |
Structure
Molecular Properties
| Interactions: | 3 | ||
| 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: | 134.5 | ||
| Sum Formula: | C8H17NO2 | ||
| M / g/mol: | 159.23 | ||
| Complexity: | 104.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags:
- Name: 8-aminooctanoic acid
- Preferred Abbreviation: 8-amino octanoic acid
- IUPAC Name: 8-aminooctanoic acid
- CAS: 1002-57-9
- CID: 66085
- InChiKey: UQXNEWQGGVUVQA-UHFFFAOYSA-N
- InChi: InChI=1S/C8H17NO2/c9-7-5-3-1-2-4-6-8(10)11/h1-7,9H2,(H,10,11)
- CanoSmiles: C(CCCC(=O)O)CCCN
- IsoSmiles: C(CCCC(=O)O)CCCN
