[(2R)-3-carboxy-2-(propanoylamino)propyl]-trimethylazanium
PubChem CID: 13393109
Connections displayed (default: 10).
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| Topological Polar Surface Area | 66.4 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 233.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | [(2R)-3-carboxy-2-(propanoylamino)propyl]-trimethylazanium |
| Prediction Hob | 1.0 |
| Xlogp | -0.4 |
| Molecular Formula | C10H21N2O3+ |
| Prediction Swissadme | 1.0 |
| Inchi Key | RVNNDZUTDOPWRO-MRVPVSSYSA-O |
| Fcsp3 | 0.8 |
| Logs | 0.135 |
| Rotatable Bond Count | 6.0 |
| Logd | 0.87 |
| Compound Name | [(2R)-3-carboxy-2-(propanoylamino)propyl]-trimethylazanium |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 217.155 |
| Formal Charge | 1.0 |
| Monoisotopic Mass | 217.155 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 217.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.7659917999999996 |
| Inchi | InChI=1S/C10H20N2O3/c1-5-9(13)11-8(6-10(14)15)7-12(2,3)4/h8H,5-7H2,1-4H3,(H-,11,13,14,15)/p+1/t8-/m1/s1 |
| Smiles | CCC(=O)N[C@H](CC(=O)O)C[N+](C)(C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Peganum Nigellastrum (Plant) Rel Props:Source_db:cmaup_ingredients