Gabapentin | SBID = 2696 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 63.3 | ||
| Ertl TPSA/Å2: | 63.32 | ||
| Hydrophilicity (PubChem XLogP): | -1.1 | ||
| Hydrophilicity (Cheng XLogP3): | 0.17 | ||
| 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: | 134.8 | ||
| Sum Formula: | C9H17NO2 | ||
| M / g/mol: | 171.24 | ||
| Complexity: | 162.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags:
- Name: Gabapentin
- Preferred Abbreviation: GAB
- IUPAC Name: 2-[1-(aminomethyl)cyclohexyl]acetic acid
- CAS:
- CID: 3446
- InChiKey: UGJMXCAKCUNAIE-UHFFFAOYSA-N
- InChi: InChI=1S/C9H17NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-7,10H2,(H,11,12)
- CanoSmiles: C1CCC(CC1)(CC(=O)O)CN
- IsoSmiles: C1CCC(CC1)(CC(=O)O)CN
