1-(4-Methoxybenzyl)-5-oxopyrrolidine-3-carboxylic acid - CAS 96449-89-7
Catalog: |
BB059921 |
Product Name: |
1-(4-Methoxybenzyl)-5-oxopyrrolidine-3-carboxylic acid |
CAS: |
96449-89-7 |
Synonyms: |
1-(4-methoxybenzyl)-5-oxopyrrolidine-3-carboxylic acid; 1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid; 1-(4-methoxybenzyl)-5-oxo-3-pyrrolidinecarboxylic acid; 1-(4-Methoxybenzyl)-5-oxopyrrolidine-3-carboxylicacid |
IUPAC Name: | 1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid |
Description: | 1-(4-Methoxybenzyl)-5-oxopyrrolidine-3-carboxylic acid |
Molecular Weight: | 249.26 |
Molecular Formula: | C13H15NO4 |
Canonical SMILES: | COC1=CC=C(C=C1)CN2CC(CC2=O)C(=O)O |
InChI: | InChI=1S/C13H15NO4/c1-18-11-4-2-9(3-5-11)7-14-8-10(13(16)17)6-12(14)15/h2-5,10H,6-8H2,1H3,(H,16,17) |
InChI Key: | GQWNIXGHJLCLCG-UHFFFAOYSA-N |
Complexity: | 323 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 249.10010796 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 249.10010796 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 66.8Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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