{[Amino(iminio)methyl](methyl)amino}acetate
PubChem CID: 7058172
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| Compound Synonyms | {[amino(iminio)methyl](methyl)amino}acetate, 2-[diaminomethylidene(methyl)azaniumyl]acetate, Creatine form I, Creatine form II, creatine zwitterion, Creatine anhydrate B, Creatine anhydrate form C, CHEBI:57947, n-(aminoiminomethyl)-n-methyl glycine |
|---|---|
| Topological Polar Surface Area | 95.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 142.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[diaminomethylidene(methyl)azaniumyl]acetate |
| Prediction Hob | 1.0 |
| Xlogp | -1.0 |
| Molecular Formula | C4H9N3O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WXOFJMWQRNARBH-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Logs | -1.026 |
| Rotatable Bond Count | 1.0 |
| Logd | -1.585 |
| Compound Name | {[Amino(iminio)methyl](methyl)amino}acetate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 131.069 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 131.069 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 131.13 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.2820630000000001 |
| Inchi | InChI=1S/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H4,5,6,8,9) |
| Smiles | C[N+](=C(N)N)CC(=O)[O-] |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Agastache Rugosus (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Crataegus Pinnatifida (Plant) Rel Props:Source_db:cmaup_ingredients