Maleamate
PubChem CID: 5460391
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| Compound Synonyms | Maleamate, (Z)-4-amino-4-oxobut-2-enoate, Maleic acid monoamide, 3c-carbamoyl-acrylic acid, CHEBI:16146, (2Z)-4-amino-4-oxobut-2-enoate, (Z)-4-amino-4-oxo-but-2-enoate, Q27098401 |
|---|---|
| Topological Polar Surface Area | 83.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 133.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-4-amino-4-oxobut-2-enoate |
| Prediction Hob | 1.0 |
| Xlogp | -0.4 |
| Molecular Formula | C4H4NO3- |
| Prediction Swissadme | 0.0 |
| Inchi Key | FSQQTNAZHBEJLS-UPHRSURJSA-M |
| Fcsp3 | 0.0 |
| Logs | 0.586 |
| Rotatable Bond Count | 1.0 |
| Logd | -1.198 |
| Compound Name | Maleamate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 114.019 |
| Formal Charge | -1.0 |
| Monoisotopic Mass | 114.019 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 114.08 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -0.2577959999999999 |
| Inchi | InChI=1S/C4H5NO3/c5-3(6)1-2-4(7)8/h1-2H,(H2,5,6)(H,7,8)/p-1/b2-1- |
| Smiles | C(=C\C(=O)[O-])\C(=O)N |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pogostemon Cablin (Plant) Rel Props:Source_db:cmaup_ingredients