AG0065E6

706806-75-9 | (R)-2-(4-Bromobenzyl)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acid

AG0065E6

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CAS Number	706806-75-9
Catalog Number	AG0065E6(AGN-PC-0TYFOJ)
Chemical Name	(R)-2-(4-Bromobenzyl)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acid
IUPAC Name	(2R)-2-[(4-bromophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
InChI	InChI=1S/C17H22BrNO4/c1-16(2,3)23-15(22)19-10-4-9-17(19,14(20)21)11-12-5-7-13(18)8-6-12/h5-8H,4,9-11H2,1-3H3,(H,20,21)/t17-/m1/s1
InChI Key	VQWRXYZZPMLJRL-QGZVFWFLSA-N
MDL Number	MFCD06797550
Molecular Formula	C17H22BrNO4
Molecular Weight	384.2649
SMILES	CC(C)(C)OC(=O)N1CCC[C@@]1(CC1=CC=C(Br)C=C1)C(O)=O
Synonyms	706806-75-9, (R)-2-(4-Bromobenzyl)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acid, Boc-(R)-alpha-(4-bromobenzyl)proline, Boc-(R)-alpha-(4-bromobenzyl)-proline, BOC-(R)-ALPHA-(4-BROMO-BENZYL)-PROLINE, (2R)-2-[(4-bromophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid, AC1MC5W5, SCHEMBL502218, CTK8E6730, DTXSID30375955, VQWRXYZZPMLJRL-QGZVFWFLSA-N, ZINC622331, 0959AC, MFCD06797550, AKOS015949850, AJ-23778, PS-12550, AX8117563, RT-011624, 2-(4-bromobenzyl)-1-(tert-butoxycarbonyl)proline, N-(tert-butoxycarbonyl)-2-(4-bromobenzyl)proline, (2R)-2-(4-bromobenzyl)-1-tert-butoxycarbonyl-proline, (2R)-1-(tert-Butoxycarbonyl)-2-(4-bromobenzyl)-2-pyrrolidinecarboxylic acid, (2R)-2-[(4-bromophenyl)methyl]-1-tert-butoxycarbonyl-pyrrolidine-2-carboxylic acid, (2R)-2-[(4-bromophenyl)methyl]-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-pyrrolidinecarboxylic acid, C17H22BrNO4, CID2761850, (R)-2-(4-Bromobenzyl)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylicacid, 2-[(4-bromophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic Acid,

Complexity	454
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	383.073g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	384.27g/mol
Monoisotopic Mass	383.073g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.7

GHS Hazard and Precautionary Statements

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

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