(2R)-1-methylpyrrolidine-2-carboxylic acid
PubChem CID: 854034
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| Compound Synonyms | 58123-62-9, 1-methyl-D-Proline, (R)-1-methylpyrrolidine-2-carboxylic acid, N-methyl-D-proline, (2R)-1-methylpyrrolidine-2-carboxylic acid, D-Proline, 1-methyl-, METHYL-D-PROLINE, MFCD15147029, SCHEMBL163401, DTXSID80357529, CWLQUGTUXBXTLF-RXMQYKEDSA-N, AKOS015851018, CS-W001861, DS-9020, (R)-1-methylpyrrolidine-2-carboxylicacid, (R)-1-Methyl-pyrrolidine-2-carboxylic acid, EN300-312573, Z1205493803, 817-749-1 |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 124.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2R)-1-methylpyrrolidine-2-carboxylic acid |
| Prediction Hob | 1.0 |
| Xlogp | -1.9 |
| Molecular Formula | C6H11NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CWLQUGTUXBXTLF-RXMQYKEDSA-N |
| Fcsp3 | 0.8333333333333334 |
| Logs | -0.616 |
| Rotatable Bond Count | 1.0 |
| Logd | -0.333 |
| Compound Name | (2R)-1-methylpyrrolidine-2-carboxylic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 129.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 129.079 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 129.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.3152142000000004 |
| Inchi | InChI=1S/C6H11NO2/c1-7-4-2-3-5(7)6(8)9/h5H,2-4H2,1H3,(H,8,9)/t5-/m1/s1 |
| Smiles | CN1CCC[C@@H]1C(=O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Acer Spicatum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Cephalaria Procera (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Cytisus Ciliatus (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Diospyros Maritima (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Domohinea Perrieri (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Dracaena Mannii (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Helipterum Propinquum (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Mannia Fragrans (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Mesua Beccariana (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Parthenium Bipinnatifidum (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Pittosporum Undulatum (Plant) Rel Props:Source_db:cmaup_ingredients