ethyl (3R)-3-amino-3-(2H-1,3-benzodioxol-5-yl)propanoate - CAS 149520-08-1
Catalog: |
BB010418 |
Product Name: |
ethyl (3R)-3-amino-3-(2H-1,3-benzodioxol-5-yl)propanoate |
CAS: |
149520-08-1 |
Synonyms: |
(3R)-3-amino-3-(1,3-benzodioxol-5-yl)propanoic acid ethyl ester; ethyl (3R)-3-amino-3-(1,3-benzodioxol-5-yl)propanoate |
IUPAC Name: | ethyl (3R)-3-amino-3-(1,3-benzodioxol-5-yl)propanoate |
Description: | ethyl (3R)-3-amino-3-(2H-1,3-benzodioxol-5-yl)propanoate (CAS# 149520-08-1 ) is a useful research chemical. |
Molecular Weight: | 237.255 |
Molecular Formula: | C12H15NO4 |
Canonical SMILES: | CCOC(=O)CC(C1=CC2=C(C=C1)OCO2)N |
InChI: | InChI=1S/C12H15NO4/c1-2-15-12(14)6-9(13)8-3-4-10-11(5-8)17-7-16-10/h3-5,9H,2,6-7,13H2,1H3/t9-/m1/s1 |
InChI Key: | CUMDNQXYGSSDHW-SECBINFHSA-N |
LogP: | 2.06860 |
Publication Number | Title | Priority Date |
AU-2011328904-A1 | Agonists that enhance binding of integrin-expressing cells to integrin receptors | 20101116 |
AU-2017201804-A1 | Agonists that enhance binding of integrin-expressing cells to integrin receptors | 20101116 |
AU-2017201804-B2 | Agonists that enhance binding of integrin-expressing cells to integrin receptors | 20101116 |
AU-2018236756-A1 | Agonists that enhance binding of integrin-expressing cells to integrin receptors | 20101116 |
AU-2018236756-B2 | Agonists that enhance binding of integrin-expressing cells to integrin receptors | 20101116 |
Complexity: | 271 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 237.10010796 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 237.10010796 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 70.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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