2-(4-(Pyrrolidin-1-yl)phenyl)acetic acid
PubChem CID: 14154587
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| Compound Synonyms | 26586-36-7, 2-(4-(pyrrolidin-1-yl)phenyl)acetic acid, 2-[4-(pyrrolidin-1-yl)phenyl]acetic acid, 4-pyrrolidinophenyl acetic acid, SCHEMBL1065084, (4-Pyrrolidinophenyl)acetic acid, ZFNIWSXJLHQUHT-UHFFFAOYSA-N, (4-pyrrolidin-1-ylphenyl)acetic acid, 4-(pyrrolidin-1-yl)phenylacetic acid, AKOS017555765, DA-07524, EN300-1844778 |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 216.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(4-pyrrolidin-1-ylphenyl)acetic acid |
| Prediction Hob | 1.0 |
| Xlogp | 2.0 |
| Molecular Formula | C12H15NO2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | ZFNIWSXJLHQUHT-UHFFFAOYSA-N |
| Fcsp3 | 0.4166666666666667 |
| Logs | -2.16 |
| Rotatable Bond Count | 3.0 |
| Logd | 0.204 |
| Compound Name | 2-(4-(Pyrrolidin-1-yl)phenyl)acetic acid |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 205.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 205.11 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 205.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.4705934 |
| Inchi | InChI=1S/C12H15NO2/c14-12(15)9-10-3-5-11(6-4-10)13-7-1-2-8-13/h3-6H,1-2,7-9H2,(H,14,15) |
| Smiles | C1CCN(C1)C2=CC=C(C=C2)CC(=O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Senecio Scandens (Plant) Rel Props:Source_db:cmaup_ingredients