3-Ammoniopyrrolidine-3-carboxylate
PubChem CID: 10011925
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| Compound Synonyms | 3-ammoniopyrrolidine-3-carboxylate |
|---|---|
| Topological Polar Surface Area | 79.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 131.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-azaniumylpyrrolidine-3-carboxylate |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | -3.2 |
| Is Pains | False |
| Molecular Formula | C5H10N2O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DWAKXSZUASEUHH-UHFFFAOYSA-N |
| Fcsp3 | 0.8 |
| Rotatable Bond Count | 0.0 |
| Compound Name | 3-Ammoniopyrrolidine-3-carboxylate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 130.074 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 130.074 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 130.15 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.2838886 |
| Inchi | InChI=1S/C5H10N2O2/c6-5(4(8)9)1-2-7-3-5/h7H,1-3,6H2,(H,8,9) |
| Smiles | C1CNCC1(C(=O)[O-])[NH3+] |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cucurbita Moschata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Cucurbita Pepo (Plant) Rel Props:Source_db:cmaup_ingredients