1-Amidino-3-(3-carboxypropyl)urea
PubChem CID: 12310321
Connections displayed (default: 10).
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| Compound Synonyms | 1-Amidino-3-(3-carboxypropyl)urea, DB-311780 |
|---|---|
| Topological Polar Surface Area | 131.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 222.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-(diaminomethylidenecarbamoylamino)butanoic acid |
| Prediction Hob | 1.0 |
| Xlogp | -1.1 |
| Molecular Formula | C6H12N4O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JWHFOLCKXAISQP-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Logs | -1.275 |
| Rotatable Bond Count | 4.0 |
| Logd | -1.57 |
| Compound Name | 1-Amidino-3-(3-carboxypropyl)urea |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 188.091 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 188.091 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 188.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.09484060000000005 |
| Inchi | InChI=1S/C6H12N4O3/c7-5(8)10-6(13)9-3-1-2-4(11)12/h1-3H2,(H,11,12)(H5,7,8,9,10,13) |
| Smiles | C(CC(=O)O)CNC(=O)N=C(N)N |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Glabra (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Litchi Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Piper Nigrum (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Prosopis Juliflora (Plant) Rel Props:Source_db:cmaup_ingredients