trans-3-(Boc-amino)-4-fluoropyrrolidine - CAS 186201-09-2

Catalog:	BB014280
Product Name:	trans-3-(Boc-amino)-4-fluoropyrrolidine
CAS:	186201-09-2
Synonyms:	N-[(3S,4S)-4-fluoro-3-pyrrolidinyl]carbamic acid tert-butyl ester; tert-butyl N-[(3S,4S)-4-fluoropyrrolidin-3-yl]carbamate

Technical Data

Patents

Computed Properties

IUPAC Name:	tert-butyl N-[(3S,4S)-4-fluoropyrrolidin-3-yl]carbamate
Description:	trans-3-(Boc-amino)-4-fluoropyrrolidine (CAS# 186201-09-2) is a useful research chemical.
Molecular Weight:	204.24
Molecular Formula:	C9H17FN2O2
Canonical SMILES:	CC(C)(C)OC(=O)NC1CNCC1F
InChI:	InChI=1S/C9H17FN2O2/c1-9(2,3)14-8(13)12-7-5-11-4-6(7)10/h6-7,11H,4-5H2,1-3H3,(H,12,13)/t6-,7-/m0/s1
InChI Key:	BZSDDSIFAGBZLT-BQBZGAKWSA-N
MDL:	MFCD18791661
LogP:	1.54070

Publication Number	Title	Priority Date
TW-202024065-A	Heterocyclyl compounds for the treatment of autoimmune disease	20180927
TW-202016111-A	Novel tetrahydro-1H-pyrazo[2,1-a]isoindolylquinoline compound for treating autoimmune diseases	20180605
BR-112020024782-A2	tetrahydro-1h-pyrazine [2,1-a] isoindolylquinoline compounds for the treatment of autoimmune disease	20180605
CA-2994917-A1	3-indol substituted derivatives, pharmaceutical compositions and methods for use	20150810
JP-2018527336-A	3-indole substituted derivatives, pharmaceutical compositions, and methods of use	20150810

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Complexity:	215
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	204.12740595
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	204.12740595
Rotatable Bond Count:	3
Topological Polar Surface Area:	50.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8