AG002GY0

188528-95-2 | 1,3-Pyrrolidinedicarboxylic acid, 2-oxo-, 1-(1,1-dimethylethyl) 3-ethyl ester

AG002GY0

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CAS Number	188528-95-2
Catalog Number	AG002GY0(AGN-PC-0QHMDU)
Chemical Name	1,3-Pyrrolidinedicarboxylic acid, 2-oxo-, 1-(1,1-dimethylethyl) 3-ethyl ester
IUPAC Name	1-O-tert-butyl 3-O-ethyl 2-oxopyrrolidine-1,3-dicarboxylate
InChI	InChI=1S/C12H19NO5/c1-5-17-10(15)8-6-7-13(9(8)14)11(16)18-12(2,3)4/h8H,5-7H2,1-4H3
InChI Key	OFHTXTVNVCVIBX-UHFFFAOYSA-N
MDL Number	MFCD24466252
Molecular Formula	C12H19NO5
Molecular Weight	257.2830
SMILES	O=C(N1C(C(C(OCC)=O)CC1)=O)OC(C)(C)C
Synonyms	188528-95-2, 1-tert-Butyl 3-ethyl 2-oxopyrrolidine-1,3-dicarboxylate, AK206562, Ethyl 1-boc-2-oxopyrrolidine-3-carboxylate, SCHEMBL3543973, KS-00000SS3, MFCD24466252, AKOS027255206, DS-10131, TZ001234, CS-0038884, FT-0720829, 1-(tert-Butyl) 3-ethyl 2-oxopyrrolidine-1,3-dicarboxylate, 2-Oxopyrrolidine-1,3-dicarboxylic acid 1-tert-butyl 3-ethyl ester, 1,3-Pyrrolidinedicarboxylic acid, 2-oxo-, 1-(1,1-dimethylethyl) 3-ethyl ester, CID11207608, Tert-butyl Ethyl 2-oxopyrrolidine-1,3-dicarboxylate, 1-tert-butyl 2-oxopyrrolidine-1,3-dicarboxylate 3-ethyl ester,

Complexity	358
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	257.126g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	257.286g/mol
Monoisotopic Mass	257.126g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	72.9A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

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

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