AG00CIRT

370882-55-6 | (3aS,6aS)-tert-Butyl hexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate

AG00CIRT

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CAS Number	370882-55-6
Catalog Number	AG00CIRT(AGN-PC-0WB608)
Chemical Name	(3aS,6aS)-tert-Butyl hexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate
IUPAC Name	tert-butyl (3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole-5-carboxylate
InChI	InChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-6-8-4-5-12-9(8)7-13/h8-9,12H,4-7H2,1-3H3/t8-,9+/m0/s1
InChI Key	NYGXZCRPVBPJTA-DTWKUNHWSA-N
MDL Number	MFCD09040441
Molecular Formula	C11H20N2O2
Molecular Weight	212.2887
SMILES	O=C(N1C[C@@]2([H])NCC[C@@]2([H])C1)OC(C)(C)C
Synonyms	370882-55-6, (3aS,6aS)-tert-butyl hexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate, 180975-51-3, tert-butyl (3aS,6aS)-hexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate, cis-5-Boc-1H-Hexahydropyrrolo[3,4-b]pyrrole, cis-tert-butyl hexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate, (3AS,6aS)-tert-Butyl hexahydropyrrolo-[3,4-b]pyrrole-5(1H)-carboxylate, tert-butyl rac-(3aS,6aS)-hexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate, AC1Q1MVE, SCHEMBL1135376, NYGXZCRPVBPJTA-DTWKUNHWSA-N, MFCD11045908, ZINC12505303, AKOS010366952, PB23612, AJ-62506, AM803396, AS-31810, EN001678, SC-97993, AB1000197, ST24034450, EN300-26877, Cis-5-N-Boc-Hexahydro-pyrrolo[3,4-b]pyrrole, Y-6468, Z-5331, S14-1588, (3aS,6aS)-5-N-Boc-Hexahydro-pyrrolo[3,4-b]pyrrole, Pyrrolo[3,4-b]pyrrole-5(1H)-carboxylic acid, hexah, tert-butyl (3aS,6aS)-octahydropyrrolo[3,4-b]pyrrole-5-carboxylate, (3 aS,6aS)-tert-butyl hexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate, cis-hexahydro-pyrrolo[3,4-b]pyrrole-5-carboxylic acid tert-butyl ester, (3aS, 6aS)-Hexahydro-pyrrolo[3,4-bpyrrole-5-carboxylic acid tert-butyl ester, (3as,6as)-hexahydro-pyrrolo[3,4-b]pyrrole-5-carboxylic acid tert-butyl ester, tert-Butyl (3aS,6aS)-hexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate, AldrichCPR, null, tert-butyl hexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate,

Complexity	260
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	212.152g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	212.293g/mol
Monoisotopic Mass	212.152g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	41.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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