trans-3-(Boc-amino)-4-methoxypyrrolidine - CAS 128739-92-4

Catalog:	BB006926
Product Name:	trans-3-(Boc-amino)-4-methoxypyrrolidine
CAS:	128739-92-4
Synonyms:	N-[(3S,4S)-4-methoxy-3-pyrrolidinyl]carbamic acid tert-butyl ester; tert-butyl N-[(3S,4S)-4-methoxypyrrolidin-3-yl]carbamate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl N-[(3S,4S)-4-methoxypyrrolidin-3-yl]carbamate
Description:	trans-3-(Boc-amino)-4-methoxypyrrolidine (CAS# 128739-92-4) is a useful research chemical.
Molecular Weight:	216.28
Molecular Formula:	C10H20N2O3
Canonical SMILES:	CC(C)(C)OC(=O)NC1CNCC1OC
InChI:	InChI=1S/C10H20N2O3/c1-10(2,3)15-9(13)12-7-5-11-6-8(7)14-4/h7-8,11H,5-6H2,1-4H3,(H,12,13)/t7-,8-/m0/s1
InChI Key:	PIGDOXPNNMFBNA-YUMQZZPRSA-N
MDL:	MFCD23105943
LogP:	1.21760

Publication Number	Title	Priority Date
WO-2021110614-A1	HYDROPYRIDO[1,2-Î±]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE	20191203
WO-2020207991-A1	Hexahydro-1h-pyrazino[1,2-a]pyrazine compounds for the treatment of autoimmune disease	20190409
TW-202104230-A	Hexahydro-1h-pyrazino[1,2-a]pyrazine compounds for the treatment of autoimmune disease	20190409
WO-2020064792-A1	Heterocyclyl compounds for the treatment of autoimmune disease	20180927
TW-202024065-A	Heterocyclyl compounds for the treatment of autoimmune disease	20180927

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	225
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	216.14739250
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	216.14739250
Rotatable Bond Count:	4
Topological Polar Surface Area:	59.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3