1,1-Dimethylpyrrolidinium-2-carboxylate
PubChem CID: 554
Connections displayed (default: 10).
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| Compound Synonyms | 1,1-Dimethylpyrrolidinium-2-carboxylate, 1,1-dimethylpyrrolidin-1-ium-2-carboxylate, 32039-73-9, NSC655263, DTXSID50274274, 1,1-dimethylpyrrolidin-1-ium-2-carboxylic acid, N, inner salt, SCHEMBL1852325, CHEMBL1986864, CHEBI:181246, NSC-655263, Pyrrolidinium, 2-carboxy-1,1-dimethyl-, DB-050315 |
|---|---|
| Topological Polar Surface Area | 40.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 148.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,1-dimethylpyrrolidin-1-ium-2-carboxylate |
| Prediction Hob | 1.0 |
| Xlogp | 1.0 |
| Molecular Formula | C7H13NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CMUNUTVVOOHQPW-UHFFFAOYSA-N |
| Fcsp3 | 0.8571428571428571 |
| Logs | -0.123 |
| Rotatable Bond Count | 0.0 |
| Logd | -2.201 |
| Compound Name | 1,1-Dimethylpyrrolidinium-2-carboxylate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 143.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 143.095 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 143.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.4681532 |
| Inchi | InChI=1S/C7H13NO2/c1-8(2)5-3-4-6(8)7(9)10/h6H,3-5H2,1-2H3 |
| Smiles | C[N+]1(CCCC1C(=O)[O-])C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Reticulata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Citrus Unshiu (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Leonurus Japonicus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all