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(2R)-2-[(tert-butoxycarbonyl)amino]-4-[4-(trifluoromethyl)phenyl]butanoic acid

(2R)-2-[(tert-butoxycarbonyl)amino]-4-[4-(trifluoromethyl)phenyl]butanoic acid

CAS: 1082750-53-5

Formula: C16H20F3NO4

SMILES: CC(C)(C)OC(=O)N[C@H](CCC1=CC=C(C=C1)C(F)(F)F)C(O)=O

IUPAC: (2R)-2-{[(tert-butoxy)carbonyl]amino}-4-[4-(trifluoromethyl)phenyl]butanoic acid

InChI: InChI=1S/C16H20F3NO4/c1-15(2,3)24-14(23)20-12(13(21)22)9-6-10-4-7-11(8-5-10)16(17,18)19/h4-5,7-8,12H,6,9H2,1-3H3,(H,20,23)(H,21,22)/t12-/m1/s1

Composition: C (55.33%), H (5.80%), F (16.41%), N (4.03%), O (18.42%)

Molar Mass: 347.334

Atom Count: 44

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 347.134442617
Formal Charge 0
FSP3 0.5
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey UIQDQODDDQSNKX-GFCCVEGCSA-N
Lipinski's Rule of Five 1
Molar Refractivity 80.56
Topological Polar Surface Area 75.63
Polarizability 30.56
Ring Count 1
Rotatable Bond Count 8

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Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 1082750-53-5 $246.72-$554.88$246.72$369.60$554.88
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