1-Methyl-2-oxo-3-piperidinecarboxylic Acid - CAS 37464-03-2
Catalog: |
BB059581 |
Product Name: |
1-Methyl-2-oxo-3-piperidinecarboxylic Acid |
CAS: |
37464-03-2 |
Synonyms: |
3-Carboxy-1-methyl-2-piperidone; 1-Methyl-2-oxo-nipecotic Acid |
IUPAC Name: | 1-methyl-2-oxopiperidine-3-carboxylic acid |
Description: | 1-Methyl-2-oxo-3-piperidinecarboxylic Acid is a reactant which was used in the copper-catalyzed preparation of spirocyclic oxindoles via a direct C-H, Ar-H functionalization. |
Molecular Weight: | 157.17 |
Molecular Formula: | C7H11NO3 |
Canonical SMILES: | CN1CCCC(C1=O)C(=O)O |
InChI: | InChI=1S/C7H11NO3/c1-8-4-2-3-5(6(8)9)7(10)11/h5H,2-4H2,1H3,(H,10,11) |
InChI Key: | AAMWBMZCAOJKJU-UHFFFAOYSA-N |
References: | Moody, C., et L. Tetrahedron Lett., 53, 1897 (2012). |
Complexity: | 190 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 157.07389321 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 157.07389321 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 57.6Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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