N-Boc-6-hydroxy-3-azabicyclo[3.3.0]octane - CAS 130658-13-8

Name: N-Boc-6-hydroxy-3-azabicyclo[3.3.0]octane
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB007146
Product Name:	N-Boc-6-hydroxy-3-azabicyclo[3.3.0]octane
CAS:	130658-13-8
Synonyms:	4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid tert-butyl ester; tert-butyl 4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate

Technical Data

IUPAC Name:	tert-butyl 4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
Description:	N-Boc-6-hydroxy-3-azabicyclo[3.3.0]octane (CAS# 130658-13-8 ) is a useful research chemical.
Molecular Weight:	227.30
Molecular Formula:	C12H21NO3
Canonical SMILES:	CC(C)(C)OC(=O)N1CC2CCC(C2C1)O
InChI:	InChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13-6-8-4-5-10(14)9(8)7-13/h8-10,14H,4-7H2,1-3H3
InChI Key:	LVSMJGHUOLKTJI-UHFFFAOYSA-N
Boiling Point:	327.9 °C at 760 mmHg
Density:	1.146 g/cm³
MDL:	MFCD11973741
LogP:	1.56210

Publication Number	Title	Priority Date
CA-3081324-A1	Antagonists of the muscarinic acetylcholine receptor m4	20171031
WO-2019089676-A1	Antagonists of the muscarinic acetylcholine receptor m4	20171031
CN-111565718-A	Antagonists of muscarinic acetylcholine receptor M4	20171031
EP-3703680-A1	Antagonists of the muscarinic acetylcholine receptor m4	20171031
KR-20200081424-A	Antagonist of muscarinic acetylcholine receptor M4	20171031

Complexity:	285
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	227.15214353
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	227.15214353
Rotatable Bond Count:	2
Topological Polar Surface Area:	49.8
Undefined Atom Stereocenter Count:	3
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3