AG003QFZ

51814-19-8 | 1-benzyl 3-ethyl 4-oxopyrrolidine-1,3-dicarboxylate

AG003QFZ

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CAS Number	51814-19-8
Catalog Number	AG003QFZ(AGN-PC-003HEN)
Chemical Name	1-benzyl 3-ethyl 4-oxopyrrolidine-1,3-dicarboxylate
IUPAC Name	1-O-benzyl 3-O-ethyl 4-oxopyrrolidine-1,3-dicarboxylate
InChI	InChI=1S/C15H17NO5/c1-2-20-14(18)12-8-16(9-13(12)17)15(19)21-10-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3
InChI Key	FRNZCPLVDNHRIH-UHFFFAOYSA-N
MDL Number	MFCD09878816
Molecular Formula	C15H17NO5
Molecular Weight	291.2992
SMILES	C(=O)(OCc1ccccc1)N1CC(C(=O)C1)C(=O)OCC
Synonyms	51814-19-8, 1-BENZYL 3-ETHYL 4-OXOPYRROLIDINE-1,3-DICARBOXYLATE, ETHYL N-CBZ-4-OXOPYRROLIDINE-3-CARBOXYLATE, 4-Oxo-pyrrolidine-1,3-dicarboxylic acid 1-benzyl ester 3-ethyl ester, AK-35442, Ethyl 1-N-Cbz-4-oxo-pyrrolidine-3-carboxylate, 1,3-Pyrrolidinedicarboxylic acid, 4-oxo-, 3-ethyl 1-(phenylmethyl) ester, EthylN-Cbz-4-Oxopyrrolidine-3-carboxylate, SCHEMBL3185364, CTK4J4928, DTXSID50567416, FRNZCPLVDNHRIH-UHFFFAOYSA-N, ANW-46134, CE-737, MFCD09878816, AKOS015855351, CS-W003680, GS-3780, PB34472, TRA0060993, ACM51814198, KS-0000023R, AN-13462, SC-25408, SY003382, AB0069514, AB1001598, AX8129435, Ethyl 1-Cbz-4-oxopyrrolidine-3-carboxylate, TR-018450, 4CH-007304, FT-0682228, ST24026993, Q-1049, MFCD09878816 (95+%), 814E198, N-benzyloxycarbonyl-4-ethoxycarbonylpyrrolidin-3-one, 1-Benzyloxycarbonyl-4-ethoxycarbonyl-3-oxopyrrolidine, Ethyl 1-benzyloxycarbonyl-4-oxopyrrolidine-3-carboxylate, O1-benzyl O3-ethyl 4-oxopyrrolidine-1,3-dicarboxylate, 4-Oxopyrrolidine-1,3-dicarboxylic acid 1-benzyl 3-ethyl ester, 1,3-Pyrrolidinedicarboxylicacid, 4-oxo-, 3-ethyl 1-(phenylmethyl) ester, null, A7630, 1-(Benzyloxycarbonyl)-4-(ethoxycarbonyl)-3-oxopyrrolidine;1-benzyl 3-ethyl 4-oxopyrrolidine-1,3-dicarboxylate,

Complexity	403
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	291.111g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	291.303g/mol
Monoisotopic Mass	291.111g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	72.9A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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