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(3R)-3-[(tert-butoxycarbonyl)amino]-4-(2,4,5-trifluorophenyl)butanoic acid

(3R)-3-[(tert-butoxycarbonyl)amino]-4-(2,4,5-trifluorophenyl)butanoic acid

CAS: 486460-00-8

Formula: C15H18F3NO4

SMILES: CC(C)(C)OC(=O)N[C@@H](CC(O)=O)CC1=C(F)C=C(F)C(F)=C1

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

InChI: InChI=1S/C15H18F3NO4/c1-15(2,3)23-14(22)19-9(6-13(20)21)4-8-5-11(17)12(18)7-10(8)16/h5,7,9H,4,6H2,1-3H3,(H,19,22)(H,20,21)/t9-/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 TUAXCHGULMWHIO-SECBINFHSA-N
Lipinski's Rule of Five 1
Molar Refractivity 75.26
Topological Polar Surface Area 75.63
Polarizability 28.67
Ring Count 1
Rotatable Bond Count 7

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