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Basic information
- CAS
60573-74-2- Standard SMILES
CC[NH+]1CCC(OC(=O)C(O)(c2ccccc2)C2CCCC2)C1.[Cl-]- InChIKey
WUZDQJPMWOHZRA-UHFFFAOYSA-N- Molecular formula
- C19H28ClNO3
- Average molar mass
- 353.9 g/mol
- Monoisotopic mass
- 353.1757714
Names & identifiers
- Preferred name
- 1-Ethylpyrrolidin-3-yl cyclopentyl(hydroxy)phenylacetate hydrochloride
- IUPAC
- (1-ethylpyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate chloride
Names & synonyms
60573-74-21-Ethylpyrrolidin-3-yl cyclopentyl(hydroxy)phenylacetate hydrochlorideY04YSS47XSMANDELIC ACID, alpha-CYCLOPENTYL-, 1-ETHYL-3-PYRROLIDINYL ESTER, HYDROCHLORIDERefChem:1055469AHR 379UNII-Y04YSS47XSalpha-Cyclopentylmandelic acid 1-ethyl-3-pyrrolidinyl ester hydrochlorideBenzeneacetic acid, alpha-cyclopentyl-alpha-hydroxy-, 1-ethyl-3-pyrrolidinyl ester, HClQ27294090
Database identifiers
- CAS
60573-74-2- PubChem CID
- 43360
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 51 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 401
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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