4-aminobutyric acid | SBID = 1168 | Compound |
Structure
Molecular Properties
| Interactions: | 4 | ||
| PubChem TPSA/Å2: | 63.3 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | -3.2 | ||
| 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: | 82.1 | ||
| Sum Formula: | C4H9NO2 | ||
| M / g/mol: | 103.12 | ||
| Complexity: | 62.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: neurotransmitter, typical guest
- Name: 4-aminobutyric acid
- Preferred Abbreviation: gamma-amino butyric acid
- IUPAC Name: 4-aminobutanoic acid
- CAS: 56-12-2
- CID: 119
- InChiKey: BTCSSZJGUNDROE-UHFFFAOYSA-N
- InChi: InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
- CanoSmiles: C(CC(=O)O)CN
- IsoSmiles: C(CC(=O)O)CN
