AG003OER

706806-64-6 | Boc-(r)-alpha-(4-fluoro-benzyl)-proline

AG003OER

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CAS Number	706806-64-6
Catalog Number	AG003OER(AGN-PC-0TYFJ7)
Chemical Name	Boc-(r)-alpha-(4-fluoro-benzyl)-proline
IUPAC Name	(2R)-2-[(4-fluorophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
InChI	InChI=1S/C17H22FNO4/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	AWTXCFLBYUGCEW-QGZVFWFLSA-N
MDL Number	MFCD06797544
Molecular Formula	C17H22FNO4
Molecular Weight	323.3593
SMILES	CC(C)(C)OC(=O)N1CCC[C@@]1(CC1=CC=C(F)C=C1)C(O)=O
Synonyms	706806-64-6, (R)-1-(tert-Butoxycarbonyl)-2-(4-fluorobenzyl)pyrrolidine-2-carboxylic acid, BOC-(R)-ALPHA-(4-FLUORO-BENZYL)-PROLINE, MFCD06797544, BOC-(R)-alpha-(4-FLUOROBENZYL)-PROLINE, (2R)-2-[(4-fluorophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid, MFCD06797545, AC1MC5UN, SCHEMBL2252204, DTXSID80375945, ZINC391819, 0953AC, Boc-|A-(4-fluorobenzyl)-L-proline, KM1368, AKOS015949665, N-Boc-2-(4-fluorobenzyl)-D-proline, N-Boc-2-(4-fluorobenzyl)-L-proline, Boc-(R)-|A-(4-fluorobenzyl)-Pro-OH, AJ-21121, Boc-(R)-alpha-(4-fluorobenzyl)-Pro-OH, Boc-(R)-alpha-(4-fluorobenzyl)-propline, PS-12080, AX8117564, FT-0772944, (2R)-1-tert-butoxycarbonyl-2-(4-fluorobenzyl)proline, (R)-1-Boc-2-(4-fluorobenzyl)-2-pyrrolidinecarboxylic acid, 1-(tert-Butoxycarbonyl)-2-[(4-fluorophenyl)methyl]-L-proline, Boc-(R)-alpha-(4-fluorobenzyl)-Pro-OH, >=98.0% (HPLC), (2R)-1-(tert-Butoxycarbonyl)-2-(4-fluorobenzyl)-2-pyrrolidinecarboxylic acid, (2R)-1-tert-butoxycarbonyl-2-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid, (2R)-2-[(4-fluorophenyl)methyl]-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-pyrrolidinecarboxylic acid, C17H22FNO4, CID2761832, (R)-1-(tert-Butoxycarbonyl)-2-(4-fluorobenzyl)pyrrolidine-2-carboxylicacid, 2-[(4-fluorophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic Acid, 706806-65-7,

Complexity	454
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	323.153g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	323.364g/mol
Monoisotopic Mass	323.153g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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