(3S)-3-aminopyrrolidine-3-carboxylic acid
PubChem CID: 11029875
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| Compound Synonyms | (3S)-3-aminopyrrolidine-3-carboxylic acid, 113473-30-6, (S)-3-Aminopyrrolidine-3-carboxylic acid, 3-Pyrrolidinecarboxylicacid,3-amino-,(3S)-(9CI), AKOS006237198, (S)-3-Aminopyrrolidine-3-carboxylicacid, CS-0104837, EN300-86270, F19622 |
|---|---|
| Topological Polar Surface Area | 75.4 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 137.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (3S)-3-aminopyrrolidine-3-carboxylic acid |
| Prediction Hob | 1.0 |
| Xlogp | -3.8 |
| Molecular Formula | C5H10N2O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DWAKXSZUASEUHH-YFKPBYRVSA-N |
| Fcsp3 | 0.8 |
| Logs | -0.504 |
| Rotatable Bond Count | 1.0 |
| Logd | -1.456 |
| Compound Name | (3S)-3-aminopyrrolidine-3-carboxylic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 130.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 130.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 130.15 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.8382886000000005 |
| Inchi | InChI=1S/C5H10N2O2/c6-5(4(8)9)1-2-7-3-5/h7H,1-3,6H2,(H,8,9)/t5-/m0/s1 |
| Smiles | C1CNC[C@@]1(C(=O)O)N |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Bryonia Alba (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Citrullus Colocynthis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Cucurbita Moschata (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Cucurbita Pepo (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Ecballium Elaterium (Plant) Rel Props:Source_db:cmaup_ingredients