AG0015Q3

1217474-04-8 | 1,2-Pyrrolidinedicarboxylic acid, 4-amino-, 1-(1,1-dimethylethyl) 2-methyl ester, hydrochloride (1:1), (2R,4R)-

AG0015Q3

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CAS Number	1217474-04-8
Catalog Number	AG0015Q3(AGN-PC-0WA1VN)
Chemical Name	1,2-Pyrrolidinedicarboxylic acid, 4-amino-, 1-(1,1-dimethylethyl) 2-methyl ester, hydrochloride (1:1), (2R,4R)-
IUPAC Name	1-O-tert-butyl 2-O-methyl (2R,4R)-4-aminopyrrolidine-1,2-dicarboxylate;hydrochloride
InChI	InChI=1S/C11H20N2O4.ClH/c1-11(2,3)17-10(15)13-6-7(12)5-8(13)9(14)16-4;/h7-8H,5-6,12H2,1-4H3;1H/t7-,8-;/m1./s1
InChI Key	KFYCQKLSGMAVQH-SCLLHFNJSA-N
MDL Number	MFCD11042656
Molecular Formula	C11H21ClN2O4
Molecular Weight	280.7484
SMILES	Cl.N[C@@H]1C[C@@H](N(C1)C(=O)OC(C)(C)C)C(=O)OC
Synonyms	1217474-04-8, (2R,4R)-1-tert-Butyl 2-methyl 4-aminopyrrolidine-1,2-dicarboxylate hydrochloride, (2R,4R)-4-AMINO-1-BOC-PYRROLIDINE-2-CARBOXYLIC ACID METHYL ESTER-HCl, Methyl (2R,4R)-4-Amino-1-Boc-pyrrolidine-2-carboxylate hydrochloride, (2R,4R)-4-AMINO-1-BOC-PYRROLIDINE-2-CARBOXYLIC ACID METHYL ESTER hydrochloride, C11H21ClN2O4, KFYCQKLSGMAVQH-SCLLHFNJSA-N, AK109626, SCHEMBL2347422, CTK8E1368, KS-00000PPQ, DTXSID20662361, 3969AA, MFCD11042656, AKOS015846154, CS-W004638, DS-4382, PB10839, AB0000569, AX8225915, ST2402242, FT-0649536, B-2011, Methyl N-BOC-(2R,4R)-4-Aminopyrrolidine-2-carboxylate HCl, (2R,4R)-1-TERT-BUTYL 2-METHYL 4-AMINOPYRROLIDINE-1,2-DICARBOXYLATE HCL, 1,2-Pyrrolidinedicarboxylic acid, 4-amino-, 1-(1,1-dimethylethyl) 2-methyl ester, hydrochloride (1:1), (2R,4R)-, 1-tert-Butyl 2-methyl (2R,4R)-4-aminopyrrolidine-1,2-dicarboxylate--hydrogen chloride (1/1), (2R,4R)-1-tert-Butyl2-methyl4-aminopyrrolidine-1,2-dicarboxylatehydrochloride,

Complexity	311
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	280.119g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	280.749g/mol
Monoisotopic Mass	280.119g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	81.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

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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