(S)-6-(tert-Butoxycarbonyl)-6-azaspiro[2.5]octane-5-carboxylic Acid - CAS 1262396-32-6

Catalog:	BB073809
Product Name:	(S)-6-(tert-Butoxycarbonyl)-6-azaspiro[2.5]octane-5-carboxylic Acid
CAS:	1262396-32-6
Synonyms:	(5S)-6-[(tert-Butoxy)carbonyl]-6-azaspiro[2.5]octane-5-carboxylic Acid

Technical Data

IUPAC Name:	(7S)-6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[2.5]octane-7-carboxylic acid
Description:	(S)-6-(tert-Butoxycarbonyl)-6-azaspiro[2.5]octane-5-carboxylic Acid is used in preparation of Azaspiro Amino derivatives, used as Orexin 1 receptor antagonists for the treatment of inter alia sleep disorders and drug addiction.
Molecular Weight:	255.31
Molecular Formula:	C13H21NO4
Canonical SMILES:	CC(C)(C)OC(=O)N1CCC2(CC2)CC1C(=O)O
InChI:	InChI=1S/C13H21NO4/c1-12(2,3)18-11(17)14-7-6-13(4-5-13)8-9(14)10(15)16/h9H,4-8H2,1-3H3,(H,15,16)/t9-/m0/s1
InChI Key:	PJVQCWIKEOHTOE-VIFPVBQESA-N

Complexity:	368
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	255.14705815
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	255.14705815
Rotatable Bond Count:	3
Topological Polar Surface Area:	66.8Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2