(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-[3-(trifluoromethoxy)phenyl]propanoic acid

(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-[3-(trifluoromethoxy)phenyl]propanoic acid

CAS: 1260592-32-2

Formula: C25H20F3NO5

SMILES: OC(=O)[C@H](CC1=CC=CC(OC(F)(F)F)=C1)NC(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12

IUPAC: (2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-[3-(trifluoromethoxy)phenyl]propanoic acid

InChI: InChI=1S/C25H20F3NO5/c26-25(27,28)34-16-7-5-6-15(12-16)13-22(23(30)31)29-24(32)33-14-21-19-10-3-1-8-17(19)18-9-2-4-11-20(18)21/h1-12,21-22H,13-14H2,(H,29,32)(H,30,31)/t22-/m0/s1

Composition: C (63.69%), H (4.28%), F (12.09%), N (2.97%), O (16.97%)

Molar Mass: 471.432

Atom Count: 54

Heavy Atom Count: 34

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	471.129357237
Formal Charge	0
FSP3	0.2
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	JAUYXFMCEZXVPZ-QFIPXVFZSA-N
Lipinski's Rule of Five
Molar Refractivity	112.27
Topological Polar Surface Area	84.86
Polarizability	45.3
Ring Count	4
Rotatable Bond Count	9

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97%	<7 Days	1260592-32-2		$207.36-$465.60$207.36$311.04$465.60