4-Amino-2-azaniumyl-4-oxobutanoate
PubChem CID: 5247114
Connections displayed (default: 10).
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| Topological Polar Surface Area | 111.0 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 128.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-amino-2-azaniumyl-4-oxobutanoate |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | -2.8 |
| Is Pains | False |
| Molecular Formula | C4H8N2O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DCXYFEDJOCDNAF-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Rotatable Bond Count | 2.0 |
| Compound Name | 4-Amino-2-azaniumyl-4-oxobutanoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 132.053 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 132.053 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 132.12 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.8257622000000004 |
| Inchi | InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9) |
| Smiles | C(C(C(=O)[O-])[NH3+])C(=O)N |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Chlamydomonas Reinhardtii (Plant) Rel Props:Source_db:cmaup_ingredients