AG00H0ZI

879686-42-7 | 4-Oxo-hexahydro-cyclopenta[c]pyrrole-2-carboxylic acid tert-butyl ester

AG00H0ZI

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CAS Number	879686-42-7
Catalog Number	AG00H0ZI(AGN-PC-05IZJC)
Chemical Name	4-Oxo-hexahydro-cyclopenta[c]pyrrole-2-carboxylic acid tert-butyl ester
IUPAC Name	tert-butyl 4-oxo-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylate
InChI	InChI=1S/C12H19NO3/c1-12(2,3)16-11(15)13-6-8-4-5-10(14)9(8)7-13/h8-9H,4-7H2,1-3H3
InChI Key	MZQZNAQWIOWKSR-UHFFFAOYSA-N
MDL Number	MFCD06658358
Molecular Formula	C12H19NO3
Molecular Weight	225.2842
SMILES	CC(C)(C)OC(=O)N1CC2CCC(=O)C2C1
Synonyms	879686-42-7, tert-butyl 4-oxohexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate, 4-Oxo-hexahydro-cyclopenta[c]pyrrole-2-carboxylic acid tert-butyl ester, 130658-14-9, 4-Oxohexahydrocyclopenta[c]pyrrole-2-carboxylic acid tert-butyl ester, 2-Boc-4-Oxo-hexahydrocyclopenta[c]pyrrole, Cyclopenta[c]pyrrole-2(1H)-carboxylicacid, hexahydro-4-oxo-, 1,1-dimethylethyl ester, (3aR,6aS)-rel-, cis-tert-Butyl 4-oxohexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate, ACMC-1C6GC, SCHEMBL43652, AMOT0905, 4-Oxo-hexahydrocyclopenta[c]pyrrole-2-carboxylic acid tert-butyl ester, CTK4B6857, ZX-CM014154, ANW-55443, MFCD06658358, AKOS015900214, ACN-001324, FCH1624609, OR16703, PB18736, RP07569, RP27595, ACM130658149, AK-65297, PS-11143, AB0039050, AX8218401, RT-009839, ST2407706, 4CH-018856, CS-0054874, FT-0645780, FT-0685979, Y6453, O57096, Q-3300, cis-2-Boc-hexahydrocyclopenta[c]pyrrol-4(1H)-one, J-508132, I14-10892, Hexahydrocyclopenta[c]pyrrol-4(1H)-one, N-BOC protected, tert-butyl 4-oxo-hexahydrocyclopenta[c]pyrrole-2-carboxylate, tert-butyl 4-oxo-octahydrocyclopenta[c]pyrrole-2-carboxylate, 879686-42-7 tert-butyl 4-oxo-hexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate, tert-butyl 4-oxo-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylate, Not Available, C12H19NO3, R024, tert-Butyl4-oxohexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate, tert-butyl 4-oxohexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate, 95% - 1G 1g,

Complexity	319
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	225.136g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	225.288g/mol
Monoisotopic Mass	225.136g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	46.6A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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