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(3R)-3-[(tert-butoxycarbonyl)amino]-3-[2-(trifluoromethyl)phenyl]propanoic acid

(3R)-3-[(tert-butoxycarbonyl)amino]-3-[2-(trifluoromethyl)phenyl]propanoic acid

CAS: 501015-17-4

Formula: C15H18F3NO4

SMILES: CC(C)(C)OC(=O)N[C@H](CC(O)=O)C1=CC=CC=C1C(F)(F)F

IUPAC: (3R)-3-{[(tert-butoxy)carbonyl]amino}-3-[2-(trifluoromethyl)phenyl]propanoic acid

InChI: InChI=1S/C15H18F3NO4/c1-14(2,3)23-13(22)19-11(8-12(20)21)9-6-4-5-7-10(9)15(16,17)18/h4-7,11H,8H2,1-3H3,(H,19,22)(H,20,21)/t11-/m1/s1

Composition: C (54.05%), H (5.44%), F (17.10%), N (4.20%), O (19.20%)

Molar Mass: 333.307

Atom Count: 41

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 333.118792553
Formal Charge 0
FSP3 0.47
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey DYZRXQICSTZZKP-LLVKDONJSA-N
Lipinski's Rule of Five 1
Molar Refractivity 75.83
Topological Polar Surface Area 75.63
Polarizability 28.75
Ring Count 1
Rotatable Bond Count 7

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Purity LeadTime CAS PacketSize UnitPrice
97% <5 Days 501015-17-4 $129.88-$728.86$129.88$203.02$728.86
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