(3R)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-[3-(trifluoromethyl)phenyl]propanoic acid

(3R)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-[3-(trifluoromethyl)phenyl]propanoic acid

CAS: 517905-87-2

Formula: C25H20F3NO4

SMILES: OC(=O)C[C@@H](NC(=O)OCC1C2=CC=CC=C2C2=C1C=CC=C2)C1=CC=CC(=C1)C(F)(F)F

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

InChI: InChI=1S/C25H20F3NO4/c26-25(27,28)16-7-5-6-15(12-16)22(13-23(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-/m1/s1

Composition: C (65.93%), H (4.43%), F (12.51%), N (3.08%), O (14.05%)

Molar Mass: 455.433

Atom Count: 53

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	455.134442617
Formal Charge	0
FSP3	0.2
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	YOGSOMNKKBEWAJ-JOCHJYFZSA-N
Lipinski's Rule of Five
Molar Refractivity	115.04
Topological Polar Surface Area	75.63
Polarizability	44.56
Ring Count	4
Rotatable Bond Count	8

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Purity	LeadTime	CAS	PacketSize	UnitPrice
99%	<5 Days	517905-87-2		$93.31-$339.21$93.31$142.49$339.21