AG003CLB

35418-16-7 | (S)-tert-Butyl 5-oxopyrrolidine-2-carboxylate

AG003CLB

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CAS Number	35418-16-7
Catalog Number	AG003CLB(AGN-PC-0O98RW)
Chemical Name	(S)-tert-Butyl 5-oxopyrrolidine-2-carboxylate
IUPAC Name	tert-butyl (2S)-5-oxopyrrolidine-2-carboxylate
InChI	InChI=1S/C9H15NO3/c1-9(2,3)13-8(12)6-4-5-7(11)10-6/h6H,4-5H2,1-3H3,(H,10,11)/t6-/m0/s1
InChI Key	QXGSPAGZWRTTOT-LURJTMIESA-N
MDL Number	MFCD06659481
Molecular Formula	C9H15NO3
Molecular Weight	185.2203
SMILES	CC(C)(C)OC(=O)[C@@H]1CCC(=O)N1
Synonyms	35418-16-7, (S)-2-pyrrolidone-5-carboxylic acid t-butyl ester, (S)-tert-Butyl 5-oxopyrrolidine-2-carboxylate, tert-Butyl 5-oxo-L-prolinate, L-Pyroglutamic acid tert-butyl ester, 85136-12-5, tert-butyl (2S)-5-oxopyrrolidine-2-carboxylate, tert-Butyl L-Pyroglutamate, (S)-5-Oxo-pyrrolidine-2-carboxylic acid tert-butyl ester, L-Pyroglutamicacidtert-butylester, tert-Butyl (S)-5-Oxopyrrolidine-2-carboxylate, MFCD06659481, tert-Butyl (S)-2-pyrrolidone-5-carboxylate, Proline, 5-oxo-, 1,1-dimethylethyl ester, TERT-BUTYL (S)-5-OXO-2-PYRROLIDINECARBOXYLATE, EINECS 252-555-5, H-Pyr-OtBu, L-Pyr-OtBu, PubChem5644, (S)-tert-Butyl pyroglutamate, SCHEMBL716389, CTK5F4264, DTXSID20188899, QXGSPAGZWRTTOT-LURJTMIESA-N, 5-Oxo-L-proline tert-butyl ester, ACT00008, ZINC8698130, ANW-52351, 1,1-dimethylethyl 5-oxo-L-prolinate, (2S)-5-oxo-proline tert-butyl ester, AKOS006294854, AKOS015838009, AB25940, CS-W003321, GS-6801, RP24539, RTR-014650, KS-000005K7, AC-23798, AJ-57951, BR-34821, CJ-13352, SC-06995, Proline, 5-oxo-,1,1-dimethylethyl ester, AB0030936, TR-014650, AM20090559, B4026, FT-0654058, FT-0687328, ST24032119, X3214, (S)-2-Pyrrolidone-5-carboxylicacidt-butylester, A-2466, A841230, I04-1239, I11-0079, J-502244, J-502433, (S)-pyrrolidin-2-one-5-carboxylic acid t-butyl ester, (S)-5-Oxopyrrolidine-2-carboxylic Acid tert-Butyl Ester, tert-butyl (2S)-5-oxidanylidenepyrrolidine-2-carboxylate, (2S)-5-oxo-2-pyrrolidinecarboxylic acid tert-butyl ester, (2S)-5-Oxopyrrolidine-2-carboxylic acid tert-butyl ester, tert-Butyl (S)-2-pyrrolidone-5-carboxylate, >=98% (GC), (S)-2-PYRROLIDONE-5-CARBOXYLIC ACID TERT-BUTYL ESTER, 5-Oxopyrrolidine-2a-carboxylic acid tert-butyl ester;Pyroglutamic acid tert-butyl ester, tert-butyl5-oxo-L-prolinate, C9H15NO3, tert-Butyl 5-oxo-DL-prolinate, C9-H15-N-O3, EINECS 285-735-7, ACN-034153, CB10094, CID10888648, Tert-butyl (2R)-5-oxopyrrolidine-2-carboxylate, L-Pyroglutamic acid ter-butyl ester, 98% - 1G 1g, tert-Butyl (S)-2-pyrrolidone-5-carboxylate, 95% 5g, (R)-5-Oxo-pyrrolidine-2-carboxylic acid tert-butyl ester, 205524-46-5,

Complexity	230
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	185.105g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	185.223g/mol
Monoisotopic Mass	185.105g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	55.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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