(1-Methyl-2,5-dihydro-1H-pyrrol-3-yl)methyl cyclopentyl(hydroxy)phenylacetate--hydrogen chloride (1/1)
Basic information
- CAS
101710-87-6- Standard SMILES
C[NH+]1CC=C(COC(=O)C(O)(c2ccccc2)C2CCCC2)C1.[Cl-]- InChIKey
MFPSUWFQXGJJFO-UHFFFAOYSA-N- Molecular formula
- C19H26ClNO3
- Average molar mass
- 351.9 g/mol
- Monoisotopic mass
- 351.1601214
Names & identifiers
- Preferred name
- (1-Methyl-2,5-dihydro-1H-pyrrol-3-yl)methyl cyclopentyl(hydroxy)phenylacetate--hydrogen chloride (1/1)
- IUPAC
- (1-methyl-2,5-dihydro-1H-pyrrol-1-ium-3-yl)methyl 2-cyclopentyl-2-hydroxy-2-phenylacetate chloride
Names & synonyms
101710-87-6DTXSID30906546(1-Methyl-2,5-dihydro-1H-pyrrol-3-yl)methyl cyclopentyl(hydroxy)phenylacetate--hydrogen chloride (1/1)RefChem:1049277DTXCID101335643Mandelic acid, alpha-cyclopentyl-, (1-methyl-3-pyrrolin-3-yl)methyl ester, hydrochloride3-(1-Methyl-3-pyrroline)methyl alpha-cyclopentyl-alpha-phenylglycolate hydrochloride
Database identifiers
- CAS
101710-87-6- PubChem CID
- 58790
Properties
Computed structural properties
- Topological polar surface area
- 51 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 450
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Compound notes
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