2-(3-Methoxyazetidin-1-yl)acetic Acid - CAS 1781971-45-6
Catalog: |
BB060391 |
Product Name: |
2-(3-Methoxyazetidin-1-yl)acetic Acid |
CAS: |
1781971-45-6 |
Synonyms: |
2-(3-methoxyazetidin-1-yl)acetic acid |
IUPAC Name: | 2-(3-methoxyazetidin-1-yl)acetic acid |
Description: | 2-(3-Methoxyazetidin-1-yl)acetic Acid is a derivative of 2-(3-Hydroxyazetidin-1-yl)acetic Acid (H171961(P)), which is useful for the preparation of benzene fused heterocyclic compounds as autotaxin inhibitors. |
Molecular Weight: | 145.16 |
Molecular Formula: | C6H11NO3 |
Canonical SMILES: | COC1CN(C1)CC(=O)O |
InChI: | InChI=1S/C6H11NO3/c1-10-5-2-7(3-5)4-6(8)9/h5H,2-4H2,1H3,(H,8,9) |
InChI Key: | NWMBUDJCKWXKJO-UHFFFAOYSA-N |
References: | Yang, S. S., et al. PCT Int. Appl. (2019), WO 2019108943 A1. |
Complexity: | 131 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 145.07389321 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 145.07389321 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 49.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -2.7 |
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