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(1R,5S,8S)-8-(Boc-amino)-3-azabicyclo[3.2.1]octane

(1R,5S,8S)-8-(Boc-amino)-3-azabicyclo[3.2.1]octane - CAS 847862-26-4

Catalog:	BB037312
Product Name:	(1R,5S,8S)-8-(Boc-amino)-3-azabicyclo[3.2.1]octane
CAS:	847862-26-4
Synonyms:	N-[(1S,5R)-3-azabicyclo[3.2.1]octan-8-yl]carbamic acid tert-butyl ester; tert-butyl N-[(1S,5R)-3-azabicyclo[3.2.1]octan-8-yl]carbamate

Technical Data

Patents

Computed Properties

IUPAC Name:	tert-butyl N-[(1R,5S)-3-azabicyclo[3.2.1]octan-8-yl]carbamate
Description:	(1R,5S,8S)-8-(Boc-amino)-3-azabicyclo[3.2.1]octane (CAS# 847862-26-4) is a useful research chemical compound.
Molecular Weight:	226.32
Molecular Formula:	C12H22N2O2
Canonical SMILES:	CC(C)(C)OC(=O)NC1C2CCC1CNC2
InChI:	InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-10-8-4-5-9(10)7-13-6-8/h8-10,13H,4-7H2,1-3H3,(H,14,15)/t8-,9+,10?
InChI Key:	HHYUNZXSGVNMOY-ULKQDVFKSA-N
LogP:	2.22880

Publication Number	Title	Priority Date
WO-2019214651-A1	Pyrrolo[2,1-f][1,2,4]triazine derivatives serving as selective her2 inhibitors and application thereof	20180508
US-10421765-B2	Tetrahydropyrido[4,3-d]pyrimidine inhibitors of ATR kinase	20170526
US-2018370990-A1	TETRAHYDROPYRIDO[4,3-d]PYRIMIDINE INHIBITORS OF ATR KINASE	20170526
EP-3538516-B1	Phenoxytriazoles	20161108
US-2021309653-A1	Phenoxytriazoles	20161108

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Complexity:	261
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:	2
Isotope Atom Count:	0
Monoisotopic Mass:	226.168127949
Rotatable Bond Count:	3
Topological Polar Surface Area:	50.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3