AG0010NR

132414-81-4 | Pyrrolo[3,4-b]pyrrole-5(1H)-carboxylic acid, hexahydro-, 1,1-dimethylethyl ester

AG0010NR

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CAS Number	132414-81-4
Catalog Number	AG0010NR(AGN-PC-00UXQB)
Chemical Name	Pyrrolo[3,4-b]pyrrole-5(1H)-carboxylic acid, hexahydro-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 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
InChI Key	NYGXZCRPVBPJTA-UHFFFAOYSA-N
MDL Number	MFCD08235016
Molecular Formula	C11H20N2O2
Molecular Weight	212.2887
SMILES	CC(C)(C)OC(=O)N1CC2CCNC2C1
Synonyms	132414-81-4, 5-Boc-hexahydropyrrolo[3,4-b]pyrrole, tert-butyl hexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate, 5-N-Boc-Hexahydro-pyrrolo[3,4-b]pyrrole, tert-butyl octahydropyrrolo[3,4-b]pyrrole-5-carboxylate, tert-butyl 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole-5-carboxylate, Hexahydro-pyrrolo[3,4-b]pyrrole-5-carboxylic acid tert-butyl ester, 180975-51-3, tert-butyl (3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole-5-carboxylate, SCHEMBL1135375, CTK4B7903, KS-00000KZX, NYGXZCRPVBPJTA-UHFFFAOYSA-N, ANW-50968, MFCD08235016, 5-Boc-octahydropyrrolo[3,4-b]pyrrole, AKOS015854423, CB-3764, CS-W003478, RP26689, RTR-004436, SB20981, VP60131, Pyrrolo[3,4-b]pyrrole-5(1H)-carboxylic acid, hexahydro-, 1,1-dimethylethyl ester, 5-N-Boc-hexahydropyrrolo[3,4-b]pyrrole, AK-23905, AN-32227, BR-23905, DS-10623, EN000531, QC-11569, SC-12792, SC-25351, 5-Boc-1H-Hexahydropyrrolo[3,4-b]pyrrole, AB0035485, DB-012574, ST2418619, TR-004436, 4CH-013899, 4CH-022350, FT-0646899, FT-0649472, X9833, S-6364, A812574, J-516763, S14-0161, I14-10169, tert-butyl hexahydropyrrolo[3,4-b]pyrrole-5(1H)-ca, F8887-3842, Tert-butyl 2,7-diazabicyclo[3.3.0]octane-7-carboxylate, t-butyl hexahydropyrrolo[3,4-b]pyrrole-5(1h)-carboxylate, tert.-butyl 2,7-diazabicyclo[3.3.0]octane-7-carboxylate, tert-butyl hexahydro-1H-pyrrolo[2,3-c]pyrrole-5-carboxylate, racemic tert-butyl 2,7-diazabicyclo[3.3.0]octane-7-carboxylate, (3aR,6aR)-Tert-butylhexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate, (3aS,6aS)-Tert-butylhexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate, tert-butyl (3aRS,6aRS)-hexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate, tert-Butyl hexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate, AldrichCPR, 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole-5-carboxylic acid tert-butyl ester, tert-butyl (3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole-5-carboxylate, C11H20N2O2, ACN-034530, 370882-55-6, (3aS,6aS)-tert-butyl hexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate, 370882-39-6, TERT-BUTYLHEXAHYDROPYRROLO[3,4-B]PYRROLE-5 -CARBOXYLATE, Hexahydropyrrolo[3,4-b]pyrrole-5-carboxylic acid tert-butyl ester, (3aR,6aR)-tert-butyl hexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate, tert-butyl 1-benzyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxylate,

Complexity	260
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
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	2
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 3077

Certificate of Analysis

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