3-Nitropropionic acid
| Internal ID | 234cdaaf-2626-4139-aba6-7e9749f3e1a1 |
| Taxonomy | Organic 1,3-dipolar compounds > Allyl-type 1,3-dipolar organic compounds > Organic nitro compounds > C-nitro compounds |
| IUPAC Name | 3-nitropropanoic acid |
| SMILES (Canonical) | C(C[N+](=O)[O-])C(=O)O |
| SMILES (Isomeric) | C(C[N+](=O)[O-])C(=O)O |
| InChI | InChI=1S/C3H5NO4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6) |
| InChI Key | WBLZUCOIBUDNBV-UHFFFAOYSA-N |
| Popularity | 2,174 references in papers |
| Molecular Formula | C3H5NO4 |
| Molecular Weight | 119.08 g/mol |
| Exact Mass | 119.02185764 g/mol |
| Topological Polar Surface Area (TPSA) | 83.10 Ų |
| XlogP | -0.50 |
| 3-Nitropropanoic acid |
| 504-88-1 |
| Bovinocidin |
| Hiptagenic acid |
| beta-Nitropropionic acid |
| 3-Nitropropionate |
| Propanoic acid, 3-nitro- |
| Propionic acid, 3-nitro- |
| 3-NP acid |
| beta-Nitropropanoic acid |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| CHEMBL1293237 | P54132 | Bloom syndrome protein |
631 nM |
Potency |
via Super-PRED
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.58% | 96.09% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 84.97% | 90.20% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.71% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.21% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.04% | 90.17% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Indigofera suffruticosa |
| PubChem | 1678 |
| LOTUS | LTS0203262 |
| wikiData | Q223104 |