AG002BR3

198835-06-2 | 2-Azabicyclo[2.2.1]heptane-2-carboxylic acid, 5-oxo-, 1,1-dimethylethyl ester

AG002BR3

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CAS Number	198835-06-2
Catalog Number	AG002BR3(AGN-PC-00UYIP)
Chemical Name	2-Azabicyclo[2.2.1]heptane-2-carboxylic acid, 5-oxo-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 5-oxo-2-azabicyclo[2.2.1]heptane-2-carboxylate
InChI	InChI=1S/C11H17NO3/c1-11(2,3)15-10(14)12-6-7-4-8(12)5-9(7)13/h7-8H,4-6H2,1-3H3
InChI Key	YGENGNQEVDONGO-UHFFFAOYSA-N
MDL Number	MFCD09040745
Molecular Formula	C11H17NO3
Molecular Weight	211.2576
SMILES	O=C1C2CN(C(C1)C2)C(=O)OC(C)(C)C
Synonyms	tert-butyl 5-oxo-2-azabicyclo[2.2.1]heptane-2-carboxylate, 198835-06-2, 5-oxo-2-azabicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester, 2-BOC-5-OXO-2-AZA-BICYCLO[2.2.1]HEPTANE, AC1Q1MY6, tert-butyl5-oxo-2-aza-bicyclo[2.2.1]heptane-2-carboxylate, tert-Butyl 5-oxo-2-aza-bicyclo[2.2.1]heptane-2-carboxylate, SCHEMBL1975869, CTK7H3108, DTXSID20585546, ANW-44628, MFCD09040745, WT1524, AKOS009132944, CS-W008809, MCULE-5306069264, PB29588, RTX-012592, TRA0066977, AK-68306, AM803459, BS-14027, SC-98242, SY042190, 2-Boc-2-azabicyclo[2.2.1]heptan-5-one, 5-Boc-5-azabicyclo[2.2.1]heptan-2-one, 4CH-010884, EN300-37374, KS-00000413, MFCD09040745 (95%), A814031, H112875, J-524841, I14-16901, tert-butyl 5-oxo-2-aza-bicyclo[2.2.1]heptane-2-car, Z255150056, tert-butyl 5-oxidanylidene-2-azabicyclo[2.2.1]heptane-2-carboxylate, 198835-06-2 tert-butyl 5-oxo-2-aza-bicyclo[2.2.1]heptane-2-carboxylate, tert-Butyl (1S,4S)-5-oxo-2-azabicyclo[2.2.1]heptane-2-carboxylate, 2-AZABICYCLO[2.2.1]HEPTANE-2-CARBOXYLIC ACID, 5-OXO-, 1,1-DIMETHYLETHYL ESTER, ACN-044619, tert-butyl 4-amino-1-azaspiro[5.5]undecane-1-carboxylate, tert-Butyl5-oxo-2-azabicyclo[2.2.1]heptane-2-carboxylate, 905306-11-8,

Complexity	305
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	211.121g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	211.261g/mol
Monoisotopic Mass	211.121g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	46.6A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number