1-Pyrrolidinyl-3-pyridineacetic Acid - CAS 933760-99-7
Catalog: |
BB076633 |
Product Name: |
1-Pyrrolidinyl-3-pyridineacetic Acid |
CAS: |
933760-99-7 |
Synonyms: |
pyridin-3-yl(pyrrolidin-1-yl)acetic acid; 2-(Pyridin-3-yl)-2-(pyrrolidin-1-yl)acetic acid; 2-pyridin-3-yl-2-pyrrolidin-1-ylacetic acid; 1-Pyrrolidinyl-3-pyridineacetic Acid |
IUPAC Name: | 2-pyridin-3-yl-2-pyrrolidin-1-ylacetic acid |
Description: | 1-Pyrrolidinyl-3-pyridineacetic Acid is a reagent that is used in the synthesis of phenylalanine cyanomethylamides as cathepsin B inhibitors. |
Molecular Weight: | 205.25 |
Molecular Formula: | C12H15NO2 |
Canonical SMILES: | C1CCN(C1)C(C2=CN=CC=C2)C(=O)O |
InChI: | InChI=1S/C11H14N2O2/c14-11(15)10(13-6-1-2-7-13)9-4-3-5-12-8-9/h3-5,8,10H,1-2,6-7H2,(H,14,15) |
InChI Key: | IPYYHCZMMIUNGM-UHFFFAOYSA-N |
References: | Roy, P., et al. PCT Int. Appl., 2010:777979 (2010). |
Complexity: | 227 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 206.105527694 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 206.105527694 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 53.4Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1.3 |
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