1-[2-(3,4-Diethoxyphenyl)ethyl]-5-oxo-3-pyrrolidinecarboxylic Acid - CAS 881040-72-8
Catalog: |
BB062891 |
Product Name: |
1-[2-(3,4-Diethoxyphenyl)ethyl]-5-oxo-3-pyrrolidinecarboxylic Acid |
CAS: |
881040-72-8 |
Synonyms: |
1-[2-(3,4-DIETHOXYPHENYL)ETHYL]-5-OXO-3-PYRROLIDINECARBOXYLIC ACID; 1-[2-(3,4-diethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid; 1-(3,4-Diethoxyphenethyl)-5-oxopyrrolidine-3-carboxylic acid |
IUPAC Name: | 1-[2-(3,4-diethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid |
Description: | 1-[2-(3,4-Diethoxyphenyl)ethyl]-5-oxo-3-pyrrolidinecarboxylic Acid |
Molecular Weight: | 321.37 |
Molecular Formula: | C17H23NO5 |
Canonical SMILES: | CCOC1=C(C=C(C=C1)CCN2CC(CC2=O)C(=O)O)OCC |
InChI: | InChI=1S/C17H23NO5/c1-3-22-14-6-5-12(9-15(14)23-4-2)7-8-18-11-13(17(20)21)10-16(18)19/h5-6,9,13H,3-4,7-8,10-11H2,1-2H3,(H,20,21) |
InChI Key: | FURMKQFTMVIACL-UHFFFAOYSA-N |
Complexity: | 414 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 321.15762283 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 321.15762283 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 76.1Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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