(2R)-1-[(4-fluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
Formula:C12H13N2O3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2R)-1-[(4-fluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid is a drug-like molecule.
| MolName | (2R)-1-[(4-fluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid |
| MolecularFormula | C12H13N2O3F |
| Smiles | OC([C@@H](CCC1)N1C(Nc(cc1)ccc1F)=O)=O |
| InChI | InChI=1S/C12H13FN2O3/c13-8-3-5-9(6-4-8)14-12(18)15-7-1-2-10(15)11(16)17/h3-6,10H,1-2,7H2,(H,14,18)(H,16,17)/t10-/m1/s1 |
| InChIK | CYVTYTNYTQOEDD-SNVBAGLBSA-N |
| TotalMolweight | 252.244 |
| Molweight | 252.244 |
| MonoisotopicMass | 252.091021 |
| CLogP | 1.299 |
| CLogS | -2.628 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 183.5 |
| Relative PSA | 0.29531 |
| PolarSurfaceArea | 69.64 |
| Druglikeness | 1.4837 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon | this enantiomer |
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1 - (2R)-1-[(4-fluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid | 2 - (2R)-1-[(4-fluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
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