(2S)-2-aminobutanedioic acid | SBID = 2192 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 101.0 | ||
| Ertl TPSA/Å2: | 100.62 | ||
| Hydrophilicity (PubChem XLogP): | -2.8 | ||
| Hydrophilicity (Cheng XLogP3): | -1.54 | ||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 3.0 | ||
| Number of H-Bond Acceptors: | 5.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 1.0 | ||
| 3D Volume/Å3: | 95.1 | ||
| Sum Formula: | C4H7NO4 | ||
| M / g/mol: | 133.1 | ||
| Complexity: | 133.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags:
- Name: (2S)-2-aminobutanedioic acid
- Preferred Abbreviation: L-aspartic acid
- IUPAC Name: (2S)-2-aminobutanedioic acid
- CAS:
- CID: 5960
- InChiKey: CKLJMWTZIZZHCS-REOHCLBHSA-N
- InChi: InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1
- CanoSmiles: C(C(C(=O)O)N)C(=O)O
- IsoSmiles: C([C@@H](C(=O)O)N)C(=O)O
