[2-(Acetyloxy)-3-carboxypropyl]trimethylazanium
PubChem CID: 2
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| Compound Synonyms | [2-(ACETYLOXY)-3-CARBOXYPROPYL]TRIMETHYLAZANIUM, 7559-18-4, 1-Propanaminium, 2-(acetyloxy)-3-carboxy-N,N,N-trimethyl-, inner salt, Levocarnitine acetyl hydrochloride, SCHEMBL3259109, CHEMBL1625375, DTXSID40859554, ALBB-032444, AKOS024284761, NS00015026, 2-(acetyloxy)-3-carboxy-N,N,N-trimethylpropan-1-aminium, R-(-)-2-ACETOXY-3-CARBOXY-N,N,N-TRIMETHYL-1-PROPANAMINIUM HYDROCHLORIDE |
|---|---|
| Topological Polar Surface Area | 63.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 219.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2-acetyloxy-3-carboxypropyl)-trimethylazanium |
| Nih Violation | False |
| Prediction Hob | 0.0 |
| Xlogp | -0.3 |
| Is Pains | False |
| Molecular Formula | C9H18NO4+ |
| Prediction Swissadme | 1.0 |
| Inchi Key | RDHQFKQIGNGIED-UHFFFAOYSA-O |
| Fcsp3 | 0.7777777777777778 |
| Rotatable Bond Count | 6.0 |
| Compound Name | [2-(Acetyloxy)-3-carboxypropyl]trimethylazanium |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 204.124 |
| Formal Charge | 1.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 204.124 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 204.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.5402251999999997 |
| Inchi | InChI=1S/C9H17NO4/c1-7(11)14-8(5-9(12)13)6-10(2,3)4/h8H,5-6H2,1-4H3/p+1 |
| Smiles | CC(=O)OC(CC(=O)O)C[N+](C)(C)C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Sagittaria Sagittifolia (Plant) Rel Props:Source_db:cmaup_ingredients