(3AR,6aR)-5-Methylhexahydropyrrolo[3,4-b]pyrrole-1-carboxylic Acid Tert-butyl Ester - CAS 948846-60-4

Catalog:	BB059631
Product Name:	(3AR,6aR)-5-Methylhexahydropyrrolo[3,4-b]pyrrole-1-carboxylic Acid Tert-butyl Ester
CAS:	948846-60-4
Synonyms:	(3aR,6aR)-Hexahydro-5-methyl-pyrrolo[3,4-b]pyrrole-1(2H)-carboxylic Acid Tert-butyl Ester; (3aR,6aR)-Hexahydro-5-methyl-pyrrolo[3,4-b]pyrrole-1(2H)-carboxylic Acid 1,1-Dimethylethyl Ester

Technical Data

IUPAC Name:	tert-butyl (3aR,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-1-carboxylate
Description:	(3AR,6aR)-5-Methylhexahydropyrrolo[3,4-b]pyrrole-1-carboxylic Acid Tert-butyl Ester is used as a reactant in the synthesis of histamine H3 receptor antagonist.
Molecular Weight:	226.32
Molecular Formula:	C12H22N2O2
Canonical SMILES:	CC(C)(C)OC(=O)N1CCC2C1CN(C2)C
InChI:	InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-6-5-9-7-13(4)8-10(9)14/h9-10H,5-8H2,1-4H3/t9-,10+/m1/s1
InChI Key:	QAVYARXXRYFCCS-ZJUUUORDSA-N
References:	Zhao, C., et al. J. Med. Chem., 52, 4640 (2009).

Complexity:	285
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	226.168127949
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	226.168127949
Rotatable Bond Count:	2
Topological Polar Surface Area:	32.8Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4