AG00A1II

134575-06-7 | Ethyl trans-3-benzyl-2,4-dioxo-3-aza-bicyclo[3.1.0]hexane-6-carboxylate

AG00A1II

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CAS Number	134575-06-7
Catalog Number	AG00A1II(AGN-PC-0PKC35)
Chemical Name	Ethyl trans-3-benzyl-2,4-dioxo-3-aza-bicyclo[3.1.0]hexane-6-carboxylate
IUPAC Name	ethyl (1R,5S)-3-benzyl-2,4-dioxo-3-azabicyclo[3.1.0]hexane-6-carboxylate
InChI	InChI=1S/C15H15NO4/c1-2-20-15(19)12-10-11(12)14(18)16(13(10)17)8-9-6-4-3-5-7-9/h3-7,10-12H,2,8H2,1H3/t10-,11+,12?
InChI Key	SFFQYGDIFWFUAF-FOSCPWQOSA-N
MDL Number	MFCD09475767
Molecular Formula	C15H15NO4
Molecular Weight	273.2839
SMILES	CCOC(=O)[C@H]1[C@H]2[C@@H]1C(=O)N(CC1=CC=CC=C1)C2=O
Synonyms	134575-06-7, ethyl trans-3-benzyl-2,4-dioxo-3-aza-bicyclo[3.1.0]hexane-6-carboxylate, ethyl (1 alpha,5 alpha,6 alpha)-3-benzyl-3-azabicyclo[3.1.0]hexane-2,4-dione-6-carboxylate, SCHEMBL796210, SCHEMBL19971631, (1R,5S,6r)-ethyl 3-benzyl-2,4-dioxo-3-azabicyclo[3.1.0]hexane-6-carboxylate, MFCD16140349, ZINC19045740, AKOS005072186, ZINC100124042, CE-0202, RP15229, SB20075, ethylbenzyldioxoazabicyclohexanecarboxylate, AJ-70756, AM805264, AM805265, CS-0036379, (1R,5S,6s)-ethyl 3-benzyl-2,4-dioxo-3-azabicyclo[3.1.0]hexane-6-carboxylate, (Meso-1R,5S,6R)-Ethyl 3-Benzyl-2,4-Dioxo-3-Azabicyclo[3.1.0]Hexane-6-Carboxylate, ethyl (1R,5S,6R)-3-benzyl-2,4-dioxo-3-azabicyclo[3.1.0]hexane-6-carboxylate, ethyl (1R,5S,6S)-3-benzyl-2,4-dioxo-3-azabicyclo[3.1.0]hexane-6-carboxylate, Ethyl (1S,5R,6R)-3-benzyl-2,4-dioxo-3-azabicyclo-[3.1.0]hexane-6-carboxylate, Ethyl (1S,5R,6R)-3-benzyl-2,4-dioxo-3-azabicyclo[3.1.0]hexane-6-carboxylate, ethyl (1S,5R,6S)-3-benzyl-2,4-dioxo-3-azabicyclo[3.1.0]hexane-6-carboxylate, (1alpha,5alpha)-2,4-Dioxo-3-benzyl-3-azabicyclo[3.1.0]hexane-6alpha-carboxylic acid ethyl ester, CID11033026, Ethyl 3-benzyl-3-aza-bicyclo[3.1.0]hexane-6-carboxylate, ETHYL 3-BENZYL-2,4-DIOXO-3-AZA-BICYCLO[3.1.0]HEXANE-6-CARBOXYLATE, Ethyl (1R,5S)-3-benzyl-2,4-dioxo-3-azabicyclo[3.1.0]hexane-6-carboxylate, 846024-42-8,

Complexity	419
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	273.1g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	273.288g/mol
Monoisotopic Mass	273.1g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	63.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number