(2S)-2-acetamidopentanedioic acid | SBID = 2149 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 104.0 | ||
| Ertl TPSA/Å2: | 103.7 | ||
| Hydrophilicity (PubChem XLogP): | -1.8 | ||
| Hydrophilicity (Cheng XLogP3): | 1.35 | ||
| 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: | 140.8 | ||
| Sum Formula: | C7H11NO5 | ||
| M / g/mol: | 189.17 | ||
| Complexity: | 225.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags:
- Name: (2S)-2-acetamidopentanedioic acid
- Preferred Abbreviation: N-Acetyl-L-glutamic acid
- IUPAC Name: (2S)-2-acetamidopentanedioic acid
- CAS:
- CID: 70914
- InChiKey: RFMMMVDNIPUKGG-YFKPBYRVSA-N
- InChi: InChI=1S/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t5-/m0/s1
- CanoSmiles: CC(=O)NC(CCC(=O)O)C(=O)O
- IsoSmiles: CC(=O)N[C@@H](CCC(=O)O)C(=O)O
