(3S) -3-[[(1,1-Dimethylethoxy) carbonyl] amino] -4-hydroxy-butanoic Acid Methyl Ester - CAS 136703-59-8
Catalog: |
BB067076 |
Product Name: |
(3S) -3-[[(1,1-Dimethylethoxy) carbonyl] amino] -4-hydroxy-butanoic Acid Methyl Ester |
CAS: |
136703-59-8 |
Synonyms: |
(3S) -3-[[(1,1-Dimethylethoxy) carbonyl] amino] -4-hydroxy-butanoic Acid Methyl Ester; (S)-Methyl 3-(tert-Butoxycarbonylamino)-4-hydroxybutanoate |
IUPAC Name: | methyl (3S)-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate |
Description: | (3S) -3-[[(1,1-Dimethylethoxy) carbonyl] amino] -4-hydroxy-butanoic Acid Methyl Ester is used to prepare CCR3 antagonists with picomolar inhibition potency against eosinophil chemotaxis. It is also used to synthesize aryl substituted, β- and γ-amino acids in DMF using functionalized zinc reagents. |
Molecular Weight: | 233.26 |
Molecular Formula: | C10H19NO5 |
Canonical SMILES: | CC(C)(C)OC(=O)NC(CC(=O)OC)CO |
InChI: | InChI=1S/C10H19NO5/c1-10(2,3)16-9(14)11-7(6-12)5-8(13)15-4/h7,12H,5-6H2,1-4H3,(H,11,14)/t7-/m0/s1 |
InChI Key: | ZZDVXWXHEXVLNH-ZETCQYMHSA-N |
References: | Santella, J., et al. Bioorg. Med. Chem. Lett., 18, 576 (2008); Dexter, C., et al. J. Org. Chem., 64, 7579 (1999). |
Complexity: | 246 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 233.12632271 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 233.12632271 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 84.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.1 |
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