3-Boc-6-hydroxy-3-azabicyclo[3.1.0]hexane - CAS 1540700-97-7

Catalog:	BB010971
Product Name:	3-Boc-6-hydroxy-3-azabicyclo[3.1.0]hexane
CAS:	1540700-97-7
Synonyms:	6-hydroxy-3-azabicyclo[3.1.0]hexane-3-carboxylic acid tert-butyl ester; tert-butyl 6-hydroxy-3-azabicyclo[3.1.0]hexane-3-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	tert-butyl 6-hydroxy-3-azabicyclo[3.1.0]hexane-3-carboxylate
Description:	3-Boc-6-hydroxy-3-azabicyclo[3.1.0]hexane (CAS# 1540700-97-7 ) is a useful research chemical.
Molecular Weight:	199.25
Molecular Formula:	C10H17NO3
Canonical SMILES:	CC(C)(C)OC(=O)N1CC2C(C1)C2O
InChI:	InChI=1S/C10H17NO3/c1-10(2,3)14-9(13)11-4-6-7(5-11)8(6)12/h6-8,12H,4-5H2,1-3H3
InChI Key:	FTWSDBRXBABRTG-UHFFFAOYSA-N
LogP:	0.78190

Publication Number	Title	Priority Date
US-2020108075-A1	8-aminoisoquinoline compounds and uses thereof	20181003
WO-2020072695-A1	8-aminoisoquinoline compounds and uses thereof	20181003
EP-2903982-B1	New pyrrolidine derivatives and their use as acetyl-coa carboxylase inhibitors	20121008
US-2014100211-A1	New pyrrolidine derivatives, pharmaceutical compositions and uses thereof	20121008
US-9169205-B2	Pyrrolidine derivatives, pharmaceutical compositions and uses thereof	20121008

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Complexity:	247
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	199.1208434
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	199.1208434
Rotatable Bond Count:	2
Topological Polar Surface Area:	49.8
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6