AG00BZQ2

362489-56-3 | (3R,4S)-1-tert-Butyl 3-ethyl 4-aminopyrrolidine-1,3-dicarboxylate

AG00BZQ2

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CAS Number	362489-56-3
Catalog Number	AG00BZQ2(AGN-PC-0O9BXO)
Chemical Name	(3R,4S)-1-tert-Butyl 3-ethyl 4-aminopyrrolidine-1,3-dicarboxylate
IUPAC Name	1-O-tert-butyl 3-O-ethyl (3R,4S)-4-aminopyrrolidine-1,3-dicarboxylate
InChI	InChI=1S/C12H22N2O4/c1-5-17-10(15)8-6-14(7-9(8)13)11(16)18-12(2,3)4/h8-9H,5-7,13H2,1-4H3/t8-,9-/m1/s1
InChI Key	AIZZFYPYPULRFL-RKDXNWHRSA-N
MDL Number	MFCD03839870
Molecular Formula	C12H22N2O4
Molecular Weight	258.3141
SMILES	O=C(N1C[C@H](C(OCC)=O)[C@@H](N)C1)OC(C)(C)C
Synonyms	895243-98-8, (3R,4S)-1-tert-Butyl 3-ethyl 4-aminopyrrolidine-1,3-dicarboxylate, 362489-56-3, TRANS-4-AMINO-1-N-BOC-3-PYRROLIDINECARBOXYLIc acid ETHYL ESTER, 1-tert-butyl 3-ethyl (3R,4S)-4-aminopyrrolidine-1,3-dicarboxylate, (3R,4S)-rel-1-tert-Butyl 3-ethyl 4-aminopyrrolidine-1,3-dicarboxylate, rel-(3R,4S)-1-tert-Butyl 3-ethyl 4-aminopyrrolidine-1,3-dicarboxylate, (3R,4S)-Ethyl 1-Boc-4-aminopyrrolidine-3-carboxylate, SCHEMBL2333731, CTK1C1255, AIZZFYPYPULRFL-RKDXNWHRSA-N, CS-D1779, ZINC2512956, ANW-50030, MFCD19687345, AKOS015838779, AKOS015920095, AB16273, PB31947, KS-0000078T, AJ-36727, AS-51425, BR-59531, AX8039982, AX8219772, TR-014881, S-5697, (3R,4S);-1-tert-Butyl 3-ethyl 4-aminopyrrolidine-1,3-dicarboxylate, (3,4)-cis-1-t-Butyl 4-methyl 3-fluoropiperidine-1,4-dicarboxylate racemate, (3,4)-Cis-1-tert-Butyl 4-Methyl 3-fluoropiperidine-1,4-dicarboxylate racemate, (3R,4S)-4-Amino-pyrrolidine-1,3-dicarboxylic acid 1-tert-butyl ester 3-ethyl ester, (3R,4S)-1-tert-Butyl3-ethyl4-aminopyrrolidine-1,3-dicarboxylate, O1-tert-butyl O3-ethyl (3R,4S)-4-aminopyrrolidine-1,3-dicarboxylate, rel-1-tert-butyl 3-ethyl (3R,4S)-4-aminopyrrolidine-1,3-dicarboxylate,

Complexity	325
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	258.158g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	258.318g/mol
Monoisotopic Mass	258.158g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	81.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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