(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

Technical Data

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:	84.9Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1