(3S)-3-[(tert-butoxycarbonyl)amino]-4-(2,3,4,5,6-pentafluorophenyl)butanoic acid

(3S)-3-[(tert-butoxycarbonyl)amino]-4-(2,3,4,5,6-pentafluorophenyl)butanoic acid

CAS: 270063-42-8

Formula: C15H16F5NO4

SMILES: CC(C)(C)OC(=O)N[C@H](CC(O)=O)CC1=C(F)C(F)=C(F)C(F)=C1F

IUPAC: (3S)-3-{[(tert-butoxy)carbonyl]amino}-4-(2,3,4,5,6-pentafluorophenyl)butanoic acid

InChI: InChI=1S/C15H16F5NO4/c1-15(2,3)25-14(24)21-6(5-8(22)23)4-7-9(16)11(18)13(20)12(19)10(7)17/h6H,4-5H2,1-3H3,(H,21,24)(H,22,23)/t6-/m0/s1

Composition: C (48.79%), H (4.37%), F (25.72%), N (3.79%), O (17.33%)

Molar Mass: 369.288

Atom Count: 41

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	369.099948814
Formal Charge	0
FSP3	0.47
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	BXJBNSOJUYXDRT-LURJTMIESA-N
Lipinski's Rule of Five	1
Molar Refractivity	75.7
Topological Polar Surface Area	75.63
Polarizability	28.42
Ring Count	1
Rotatable Bond Count	7

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<5 Days	270063-42-8		$165.19-$269.85$165.19$269.85