Basic information
- CAS
7199-05-5- Standard SMILES
CCN1CCCC1COC(=O)C(O)(c1ccccc1)C1CCCC1- InChIKey
QQJCHGFBFHJEGB-UHFFFAOYSA-N- Molecular formula
- C20H29NO3
- Average molar mass
- 331.4 g/mol
- Monoisotopic mass
- 331.21474379
Names & identifiers
- Preferred name
- N-Ethyl-2-pyrrolidylmethyl phenylcyclopentylglycolate
- IUPAC
- (1-ethylpyrrolidin-2-yl)methyl 2-cyclopentyl-2-hydroxy-2-phenylacetate
Names & synonyms
Pyrrolidyl isomer of ditranKJ5DSO5R52UNII-KJ5DSO5R52N-Ethyl-2-pyrrolidylmethyl phenylcyclopentylglycolate7199-05-5Mandelic acid, alpha-cyclopentyl-, (1-ethyl-2-pyrrolidinyl)methyl esterBenzeneacetic acid, alpha-cyclopentyl-alpha-hydroxy-, (1-ethyl-2-pyrrolidinyl)methyl esterMANDELIC ACID, .ALPHA.-CYCLOPENTYL-, (1-ETHYL-2-PYRROLIDINYL)METHYL ESTERBENZENEACETIC ACID, .ALPHA.-CYCLOPENTYL-.ALPHA.-HYDROXY-, (1-ETHYL-2-PYRROLIDINYL)METHYL ESTER
Database identifiers
- CAS
7199-05-5- PubChem CID
- 16154
- UNII
- KJ5DSO5R52
- Nikkaji
- J395.116B
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 415
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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