(3R)-1-[(2-aminophenyl)methyl]-3-hydroxypyrrolidin-2-one
PubChem CID: 92470596
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| Compound Synonyms | CHEMBL4214172 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 66.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCCC1CC1CCCCC1 |
| Deep Smiles | O=C[C@H]O)CCN5Ccccccc6N |
| Heavy Atom Count | 15.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | OC1CCCN1CC1CCCCC1 |
| Classyfire Subclass | Aniline and substituted anilines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 245.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (3R)-1-[(2-aminophenyl)methyl]-3-hydroxypyrrolidin-2-one |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 0.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C11H14N2O2 |
| Scaffold Graph Node Bond Level | O=C1CCCN1Cc1ccccc1 |
| Inchi Key | RMYSBMSWMABVQT-SNVBAGLBSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | vasicol |
| Esol Class | Very soluble |
| Functional Groups | CN(C)C(C)=O, CO, cN |
| Compound Name | (3R)-1-[(2-aminophenyl)methyl]-3-hydroxypyrrolidin-2-one |
| Exact Mass | 206.106 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 206.106 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 206.24 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C11H14N2O2/c12-9-4-2-1-3-8(9)7-13-6-5-10(14)11(13)15/h1-4,10,14H,5-7,12H2/t10-/m1/s1 |
| Smiles | C1CN(C(=O)[C@@H]1O)CC2=CC=CC=C2N |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
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