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(3S)-3-[(tert-butoxycarbonyl)amino]-4-(2-fluorophenyl)butanoic acid

(3S)-3-[(tert-butoxycarbonyl)amino]-4-(2-fluorophenyl)butanoic acid

CAS: 218608-99-2

Formula: C15H20FNO4

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

IUPAC: (3S)-3-{[(tert-butoxy)carbonyl]amino}-4-(2-fluorophenyl)butanoic acid

InChI: InChI=1S/C15H20FNO4/c1-15(2,3)21-14(20)17-11(9-13(18)19)8-10-6-4-5-7-12(10)16/h4-7,11H,8-9H2,1-3H3,(H,17,20)(H,18,19)/t11-/m0/s1

Composition: C (60.60%), H (6.78%), F (6.39%), N (4.71%), O (21.52%)

Molar Mass: 297.326

Atom Count: 41

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 297.137636291
Formal Charge 0
FSP3 0.47
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey PUMMDCKRQRQFAD-NSHDSACASA-N
Lipinski's Rule of Five 1
Molar Refractivity 74.83
Topological Polar Surface Area 75.63
Polarizability 29.06
Ring Count 1
Rotatable Bond Count 7

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Purity LeadTime CAS PacketSize UnitPrice
98% <5 Days 218608-99-2 $75.66-$206.80$75.66$98.36$206.80
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