Cyclopentylacetic acid
PubChem CID: 71606
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| Compound Synonyms | Cyclopentylacetic acid, 2-cyclopentylacetic Acid, 1123-00-8, Cyclopentaneacetic acid, MFCD00001387, EINECS 214-368-7, DTXSID30149976, NSC 60134, NSC-60134, cyclopentyl acetic acid, 2-cyclopentaneacetic acid, 2-Cyclopentaneacetic acid, 2-Cyclopentylacetic acid, Cyclopentylacetic acid, NSC, Cyclopentaneacetic acid (6CI, 7CI, 8CI, 9CI, ACI), cyclopentanacetic acid, cyclopentyl-acetic acid, Cyclopentane acetic acid, 2-cyclopentyl acetic acid, PS4SYX272J, Cyclopentylacetic acid, 97%, SCHEMBL221946, DTXCID2072467, CHEBI:167737, Cyclopentaneaceticacid, ethyl ester, NSC60134, STL166130, AKOS000119333, CS-W007405, FC75647, PB39613, PS-5790, DA-34939, SY001096, NS00015791, EN300-20142, Q27451305, F2191-0130, Z104477042, InChI=1/C7H12O2/c8-7(9)5-6-3-1-2-4-6/h6H,1-5H2,(H,8,9, 0PA, 214-368-7 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCC1 |
| Deep Smiles | OC=O)CCCCCC5 |
| Heavy Atom Count | 9.0 |
| Classyfire Class | Carboxylic acids and derivatives |
| Scaffold Graph Node Level | C1CCCC1 |
| Classyfire Subclass | Carboxylic acids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 103.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-cyclopentylacetic acid |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | 1.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C7H12O2 |
| Scaffold Graph Node Bond Level | C1CCCC1 |
| Inchi Key | YVHAIVPPUIZFBA-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | cyclopentylacetic acid |
| Esol Class | Very soluble |
| Functional Groups | CC(=O)O |
| Compound Name | Cyclopentylacetic acid |
| Exact Mass | 128.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 128.084 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 128.169 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C7H12O2/c8-7(9)5-6-3-1-2-4-6/h6H,1-5H2,(H,8,9) |
| Smiles | C1CCC(C1)CC(=O)O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Coccoloba Uvifera (Plant) Rel Props:Reference:ISBN:9788172362133