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tert-Butyl (3aR,6aR)-Hexahydropyrrolo[3,4-b]pyrrole-1(2H)-carboxylate

tert-Butyl (3aR,6aR)-Hexahydropyrrolo[3,4-b]pyrrole-1(2H)-carboxylate - CAS 370880-09-4

Catalog:	BB055339
Product Name:	tert-Butyl (3aR,6aR)-Hexahydropyrrolo[3,4-b]pyrrole-1(2H)-carboxylate
CAS:	370880-09-4
Synonyms:	(3AR,6aR)-Hexahydropyrrolo[3,4-b]pyrrole-1-carboxylic Acid Tert-butyl Ester; (3aR,6aR)-Hexahydropyrrolo[3,4-b]pyrrole-1(2H)-carboxylic Acid 1,1-Dimethylethyl Ester

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Computed Properties

IUPAC Name:	tert-butyl (3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxylate
Molecular Weight:	212.29
Molecular Formula:	C11H20N2O2
Canonical SMILES:	CC(C)(C)OC(=O)N1CCC2C1CNC2
InChI:	InChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-5-4-8-6-12-7-9(8)13/h8-9,12H,4-7H2,1-3H3/t8-,9+/m1/s1
InChI Key:	OIKZNKIPPFFTKA-BDAKNGLRSA-N

Publication Number	Title	Priority Date
EP-3511332-A1	Novel 2-acylaminothiazole derivative and preparation method therefor and use thereof	20160908
US-2019315771-A1	Novel 2-acylaminothiazole derivative and preparation method therefor and use thereof	20160908
CN-109415371-B	2-amido thiazole derivative and preparation method and application thereof	20160908
CA-2976150-A1	Compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity	20150212
US-10004728-B2	Compounds having muscarinic receptor antagonist and BETA2 adrenergic receptor agonist activity	20150212
US-2016235734-A1	Compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity	20150212
US-2017119753-A1	Compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity	20150212
US-9579314-B2	Compounds having muscarinic receptor antagonist and BETA2 adrenergic receptor agonist activity	20150212
CA-2965517-A1	Indole carboxamides compounds useful as kinase inhobitors	20141024
EP-3209656-A1	Indole carboxamide compounds useful as kinase inhibitors	20141024

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	260
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	212.152477885
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	212.152477885
Rotatable Bond Count:	2
Topological Polar Surface Area:	41.6Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9