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(3R)-3-[(tert-butoxycarbonyl)amino]-4-(3,4-difluorophenyl)butanoic acid

(3R)-3-[(tert-butoxycarbonyl)amino]-4-(3,4-difluorophenyl)butanoic acid

CAS: 269396-59-0

Formula: C15H19F2NO4

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

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

InChI: InChI=1S/C15H19F2NO4/c1-15(2,3)22-14(21)18-10(8-13(19)20)6-9-4-5-11(16)12(17)7-9/h4-5,7,10H,6,8H2,1-3H3,(H,18,21)(H,19,20)/t10-/m1/s1

Composition: C (57.14%), H (6.07%), F (12.05%), N (4.44%), O (20.30%)

Molar Mass: 315.317

Atom Count: 41

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 315.128214422
Formal Charge 0
FSP3 0.47
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey XZGBRONJONQTTA-SNVBAGLBSA-N
Lipinski's Rule of Five 1
Molar Refractivity 75.05
Topological Polar Surface Area 75.63
Polarizability 28.84
Ring Count 1
Rotatable Bond Count 7

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