AG00166R

1218764-11-4 | 1,3-Pyrrolidinedicarboxylic acid, 4-(4-fluorophenyl)-, 1-(1,1-dimethylethyl) ester, (3R,4S)-rel-

AG00166R

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CAS Number	1218764-11-4
Catalog Number	AG00166R(AGN-PC-0WBO8U)
Chemical Name	1,3-Pyrrolidinedicarboxylic acid, 4-(4-fluorophenyl)-, 1-(1,1-dimethylethyl) ester, (3R,4S)-rel-
IUPAC Name	(3R,4S)-4-(4-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
InChI	InChI=1S/C16H20FNO4/c1-16(2,3)22-15(21)18-8-12(13(9-18)14(19)20)10-4-6-11(17)7-5-10/h4-7,12-13H,8-9H2,1-3H3,(H,19,20)/t12-,13+/m1/s1
InChI Key	VRCJPGMBINFMCH-OLZOCXBDSA-N
MDL Number	MFCD04115135
Molecular Formula	C16H20FNO4
Molecular Weight	309.3327
SMILES	C(=O)(O)[C@@H]1[C@H](CN(C1)C(=O)OC(C)(C)C)c1ccc(cc1)F
Synonyms	TRANS-1-(TERT-BUTOXYCARBONYL)-4-(4-FLUOROPHENYL)PYRROLIDINE-3-CARBOXYLIC ACID, 1218764-13-6, 1218764-11-4, trans-1-boc-4-(4-fluorophenyl)-pyrrolidine-3-carboxylic acid, BOC-(+/-)-TRANS-4-(4-FLUORO-PHENYL)-PYRROLIDINE-3-CARBOXYLIC ACID, (+/-)-trans-1-Boc-4-(4-fluoro-phenyl)-pyrrolidine-3-carboxylic acid, (3R,4S)-1-(tert-butoxycarbonyl)-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid, SCHEMBL1972562, (3R,4S)-1-tert-Butoxycarbonyl-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid, VRCJPGMBINFMCH-OLZOCXBDSA-N, (3R,4S)-4-(4-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid, ZINC8699241, MFCD04115135, AKOS015898142, SB10322, AJ-58182, AK154988, AS-42904, AX8289598, CS-0047836, Y2901, Z-6798, I11-0191, Boc-(+/-)-Trans-4-(4-Fluoro-Phenyl)-Pyrrolidine-3-, Boc-(+/-)-trans-4-(4-fluoro-phenyl)-pyrrolidine-3-carboxylicacid, BOC-(TRANS)-4-(4-FLUORO-PHENYL)-PYRROLIDINE-3-CARBOXYLIC ACID, (3R,4S)-1-[(tert-butoxy)carbonyl]-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid, Boc-(+/-)-trans-4-(4-fluoro-phenyl)-pyrrolidine-3-carboxylic acid, AldrichCPR, (3R,4S)-4-(4-fluorophenyl)-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-pyrrolidinecarboxylic acid, C16H20FNO4, ACN-029965, 455954-94-6, Trans-1-Boc-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid, trans-1-[(tert-butoxy)carbonyl]-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid, 1,3-Pyrrolidinedicarboxylic acid, 4-(4-fluorophenyl)-, 1-(1,1-dimethylethyl) ester, (3R,4S)-, 1002732-10-6,

Complexity	426
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	309.138g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	309.337g/mol
Monoisotopic Mass	309.138g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

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

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