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

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

CAS: 114873-11-9

Formula: C14H18FNO4

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

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

InChI: InChI=1S/C14H18FNO4/c1-14(2,3)20-13(19)16-11(12(17)18)8-9-5-4-6-10(15)7-9/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m1/s1

Composition: C (59.36%), H (6.40%), F (6.71%), N (4.94%), O (22.59%)

Molar Mass: 283.299

Atom Count: 38

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 283.121986227
Formal Charge 0
FSP3 0.43
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey FPCCREICRYPTTL-LLVKDONJSA-N
Lipinski's Rule of Five 1
Molar Refractivity 70.21
Topological Polar Surface Area 75.63
Polarizability 27.24
Ring Count 1
Rotatable Bond Count 6

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