(3R,4S)-1-(tert-butoxycarbonyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid

(3R,4S)-1-(tert-butoxycarbonyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid

CAS: 169248-97-9

Formula: C17H20F3NO4

SMILES: CC(C)(C)OC(=O)N1C[C@@H]([C@H](C1)C1=CC=CC(=C1)C(F)(F)F)C(O)=O

IUPAC: (3R,4S)-1-[(tert-butoxy)carbonyl]-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

Composition: C (56.82%), H (5.61%), F (15.86%), N (3.90%), O (17.81%)

Molar Mass: 359.345

Atom Count: 45

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	359.134442617
Formal Charge	0
FSP3	0.53
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	UOAPWTFROWHGSC-OLZOCXBDSA-N
Lipinski's Rule of Five	1
Molar Refractivity	83.86
Topological Polar Surface Area	66.84
Polarizability	31.67
Ring Count	2
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<5 Days	169248-97-9		$104.66-$262.29$104.66$262.29