(3S,4R)-3-(Boc-amino)-4-phenylpyrrolidine - CAS 1383784-29-9

Catalog:	BB008744
Product Name:	(3S,4R)-3-(Boc-amino)-4-phenylpyrrolidine
CAS:	1383784-29-9
Synonyms:	N-[(3S,4R)-4-phenyl-3-pyrrolidinyl]carbamic acid tert-butyl ester; tert-butyl N-[(3S,4R)-4-phenylpyrrolidin-3-yl]carbamate

Technical Data

Patents

Computed Properties

IUPAC Name:	tert-butyl N-[(3S,4R)-4-phenylpyrrolidin-3-yl]carbamate
Description:	(3S,4R)-3-(Boc-amino)-4-phenylpyrrolidine (CAS# 1383784-29-9 ) is a useful research chemical.
Molecular Weight:	262.35
Molecular Formula:	C15H22N2O2
Canonical SMILES:	CC(C)(C)OC(=O)NC1CNCC1C2=CC=CC=C2
InChI:	InChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-13-10-16-9-12(13)11-7-5-4-6-8-11/h4-8,12-13,16H,9-10H2,1-3H3,(H,17,18)/t12-,13+/m0/s1
InChI Key:	OQKMVLIVAWGYRD-QWHCGFSZSA-N

Publication Number	Title	Priority Date
US-2020308145-A1	Benzimidazole derivatives and their uses	20171019
AU-2014230122-A1	Pyrrolidine derivatives, pharmaceutical compositions containing them, and their use in therapy	20130315
CA-2900888-A1	Pyrrolidine derivatives, pharmaceutical compositions containing them, and their use in therapy	20130315
EP-2970215-A1	Pyrrolidine derivatives, pharmaceutical compositions containing them, and their use in therapy	20130315
EP-2970215-B1	Pyrrolidine derivatives, pharmaceutical compositions containing them, and their use in therapy	20130315

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Related Functional Groups

Pyrrolidines

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Complexity:	306
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	262.168127949
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	262.168127949
Rotatable Bond Count:	4
Topological Polar Surface Area:	50.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1