AG0008FP

113400-36-5 | 1,2-Pyrrolidinedicarboxylic acid, 5-oxo-, 1-(1,1-dimethylethyl) 2-(phenylmethyl) ester, (2S)-

AG0008FP

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CAS Number	113400-36-5
Catalog Number	AG0008FP(AGN-PC-0P4SWM)
Chemical Name	1,2-Pyrrolidinedicarboxylic acid, 5-oxo-, 1-(1,1-dimethylethyl) 2-(phenylmethyl) ester, (2S)-
EC Number	601-251-4
IUPAC Name	2-O-benzyl 1-O-tert-butyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate
InChI	InChI=1S/C17H21NO5/c1-17(2,3)23-16(21)18-13(9-10-14(18)19)15(20)22-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3/t13-/m0/s1
InChI Key	TZNBTMCEMLXYEM-ZDUSSCGKSA-N
MDL Number	MFCD04115781
Molecular Formula	C17H21NO5
Molecular Weight	319.3523
SMILES	C(C1=CC=CC=C1)OC([C@H]1N(C(CC1)=O)C(=O)OC(C)(C)C)=O
Synonyms	113400-36-5, (S)-2-Benzyl 1-tert-butyl 5-oxopyrrolidine-1,2-dicarboxylate, Boc-Pyr-Obzl, Boc-L-Pyroglutamic acid benzyl ester, 2-BENZYL 1-TERT-BUTYL (2S)-5-OXOPYRROLIDINE-1,2-DICARBOXYLATE, MFCD04115781, 2-benzyl 1-(tert-butyl) (S)-5-oxopyrrolidine-1,2-dicarboxylate, 2-O-benzyl 1-O-tert-butyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate, 1,2-Pyrrolidinedicarboxylic acid, 5-oxo-, 1-(1,1-dimethylethyl) 2-(phenylmethyl) ester, (2S)-, Boc-pyroglutamic acid benzyl ester, AC1OXTPD, benzyl N-boc-l-pyroglutamate, SCHEMBL842288, PYR294, CTK4A8293, DTXSID40429019, TZNBTMCEMLXYEM-ZDUSSCGKSA-N, 1,2-Pyrrolidinedicarboxylic acid, 5-oxo-, 1-(1,1-dimethylethyl)2-(phenylmethyl) ester, (S)-, BCP11762, ZINC6658294, 2286AA, ANW-63931, AKOS015892814, ACN-048392, MCULE-5457123808, N-Boc-L-pyroglutamic acid benzyl ester, NE38283, RL00541, KS-00000P31, AJ-56508, DS-14429, AB0072804, Benzyl N-tert-butoxycarbonyl-5-oxoprolinate, TX-013359, CS-0013195, ST24036029, Benzyl N-tert-butoxycarbonyl-(2S)-pyroglutamate, Benzyl (2S)-N-tert-butoxycarbonyl-5-oxoprolinate, Benzyl (S)-1-Boc-5-oxopyrrolidine-2-carboxylate, I04-1215, J-519913, 1-(tert-Butoxycarbonyl)-5-oxo-L-proline benzyl ester, Z1688198408, 2-benzyl 1-tert-butyl(2S)-5-oxopyrrolidine-1,2-dicarboxylate, (2S)5-oxo-pyrrolidine-1,2-dicarboxylic acid 2-benzyl ester 1-tert-butyl ester, (S)-5-oxo-pyrrolidine-1,2-dicarboxylic acid 2-benzyl ester 1-tert-butyl ester, C17H21NO5, Boc-L-Pyroglutamic acidbenzylester, ZINC06658294, CID8027482, OC-L-PYROGLUTAMIC ACID BENZYL ESTER, (S)-2-Benzyl1-tert-butyl5-oxopyrrolidine-1,2-dicarboxylate,

Complexity	462
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	319.142g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	319.357g/mol
Monoisotopic Mass	319.142g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	72.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

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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