AG00AK49

169248-97-9 | Boc-(+/-)-trans-4-(3-trifluoromethyl-phenyl)-pyrrolidine-3-carboxylic acid

AG00AK49

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CAS Number	169248-97-9
Catalog Number	AG00AK49(AGN-PC-0Q9EJX)
Chemical Name	Boc-(+/-)-trans-4-(3-trifluoromethyl-phenyl)-pyrrolidine-3-carboxylic acid
IUPAC Name	(3R,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
InChI	InChI=1S/C17H20F3NO4/c1-16(2,3)25-15(24)21-8-12(13(9-21)14(22)23)10-5-4-6-11(7-10)17(18,19)20/h4-7,12-13H,8-9H2,1-3H3,(H,22,23)/t12-,13+/m1/s1
InChI Key	UOAPWTFROWHGSC-OLZOCXBDSA-N
MDL Number	MFCD06659291
Molecular Formula	C17H20F3NO4
Molecular Weight	359.3402
SMILES	O=C([C@H]1CN(C(OC(C)(C)C)=O)C[C@@H]1C2=CC=CC(C(F)(F)F)=C2)O
Synonyms	169248-97-9, (3R,4S)-1-(tert-Butoxycarbonyl)-4-(3-(trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid, trans-1-(tert-Butoxycarbonyl)-4-(3-(trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid, Trans-1-Boc-4-(3-(trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid, BOC-(+/-)-TRANS-4-(3-TRIFLUOROMETHYL-PHENYL)-PYRROLIDINE-3-CARBOXYLIC ACID, AK-63172, C17H20F3NO4, BOC-(TRANS)-4-(3-TRIFLUOROMETHYL-PHENYL)-PYRROLIDINE-3-CARBOXYLIC ACID, MFCD06659291, ZINC19615832, AKOS015841322, AKOS015895922, PB18738, AJ-74013, DS-15196, AB0000472, AX8016718, AX8333650, ST2407760, TC-065772, FT-0643620, W3686, Q-2814, I06-1390, Boc-trans-4-(3-Trifluoromethylphenyl)pyrrolidine-3-carboxylic acid, Boc-trans-4-(3-Trifluoromethylphenyl)pyrrolidine-3-carboxylicacid, trans-1-Boc-4-(3-trifluoromethylphenyl)-pyrrolidine-3-carboxylic acid, Boc-(+/-)-trans-4-(3-trifluoromethyl-phenyl)-pyrrolidine-3-carboxylic acid, AldrichCPR, Boc-(+/-)-trans-4-(3-trifluoromethylphenyl)pyrrolidine-3-carboxylic acid, N/A,

Complexity	515
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	359.134g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	359.345g/mol
Monoisotopic Mass	359.134g/mol
Rotatable Bond Count	4
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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number