Cimipronidine
PubChem CID: 21594000
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| Compound Synonyms | Cimipronidine, 2-(1-carbamimidoylpyrrolidin-2-yl)acetic acid, CHEMBL485803, 1-(Amino(imino)methylpyrrolidin-2-yl)acetic acid, 865266-71-3 |
|---|---|
| Topological Polar Surface Area | 90.4 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 205.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(1-carbamimidoylpyrrolidin-2-yl)acetic acid |
| Prediction Hob | 1.0 |
| Xlogp | -0.7 |
| Molecular Formula | C7H13N3O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VYKGYAQKCAHXKR-UHFFFAOYSA-N |
| Fcsp3 | 0.7142857142857143 |
| Logs | -1.11 |
| Rotatable Bond Count | 3.0 |
| Logd | -1.337 |
| Compound Name | Cimipronidine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 171.101 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 171.101 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 171.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.25614 |
| Inchi | InChI=1S/C7H13N3O2/c8-7(9)10-3-1-2-5(10)4-6(11)12/h5H,1-4H2,(H3,8,9)(H,11,12) |
| Smiles | C1CC(N(C1)C(=N)N)CC(=O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Actaea Racemosa (Plant) Rel Props:Source_db:cmaup_ingredients