AG003OF5

706806-65-7 | (S)-1-(tert-Butoxycarbonyl)-2-(4-fluorobenzyl)pyrrolidine-2-carboxylic acid

AG003OF5

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CAS Number	706806-65-7
Catalog Number	AG003OF5(AGN-PC-0TYFK3)
Chemical Name	(S)-1-(tert-Butoxycarbonyl)-2-(4-fluorobenzyl)pyrrolidine-2-carboxylic acid
IUPAC Name	(2S)-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-/m0/s1
InChI Key	AWTXCFLBYUGCEW-KRWDZBQOSA-N
MDL Number	MFCD06797545
Molecular Formula	C17H22FNO4
Molecular Weight	323.3593
SMILES	O=C([C@]1(CC2=CC=C(F)C=C2)N(C(OC(C)(C)C)=O)CCC1)O
Synonyms	706806-65-7, (S)-1-(tert-Butoxycarbonyl)-2-(4-fluorobenzyl)pyrrolidine-2-carboxylic acid, Boc-(S)-alpha-(4-fluorobenzyl)-proline, (S)-1-Boc-2-(4-fluorobenzyl)-2-pyrrolidinecarboxylic acid, (2S)-2-[(4-fluorophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid, MFCD06797545, AC1OCTSG, BOC-(S)-ALPHA-(4-FLUORO-BENZYL)-PROLINE, DTXSID40426200, ZINC391818, 0954AC, Boc-|A-(4-fluorobenzyl)-D-proline, Boc-(S)-|A-(4-fluorobenzyl)-Pro-OH, AJ-21120, AK115375, Boc-(S)-alpha-(4-fluorobenzyl)-Pro-OH, PS-12081, AX8117643, DB-074339, FT-0771944, (2S)-1-tert-butoxycarbonyl-2-(4-fluorobenzyl)proline, 1-(tert-Butoxycarbonyl)-2-[(4-fluorophenyl)methyl]-D-proline, Boc-(S)-alpha-(4-fluorobenzyl)-Pro-OH, >=98.0% (HPLC), (2S)-1-(tert-Butoxycarbonyl)-2-(4-fluorobenzyl)-2-pyrrolidinecarboxylic acid, (2S)-1-tert-butoxycarbonyl-2-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid, (S)-1-(tert-Butoxycarbonyl)-2-(4-fluorobenzyl)-pyrrolidine-2-carboxylic acid, (2S)-2-[(4-fluorophenyl)methyl]-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-pyrrolidinecarboxylic acid, C17H22FNO4, BOC- -ALPHA- -PROLINE, CID6950511, (S)-1-(tert-Butoxycarbonyl)-2-(4-fluorobenzyl)pyrrolidine-2-carboxylicacid, 2-[(4-fluorophenyl)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	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

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