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3-{[1,1'-biphenyl]-3-yl}-2-[(tert-butoxycarbonyl)amino]propanoic acid

3-{[1,1'-biphenyl]-3-yl}-2-[(tert-butoxycarbonyl)amino]propanoic acid

CAS: 1259986-44-1

Formula: C20H23NO4

SMILES: CC(C)(C)OC(=O)NC(CC1=CC(=CC=C1)C1=CC=CC=C1)C(O)=O

IUPAC: 3-{[1,1'-biphenyl]-3-yl}-2-{[(tert-butoxy)carbonyl]amino}propanoic acid

InChI: InChI=1/C20H23NO4/c1-20(2,3)25-19(24)21-17(18(22)23)13-14-8-7-11-16(12-14)15-9-5-4-6-10-15/h4-12,17H,13H2,1-3H3,(H,21,24)(H,22,23)

Composition: C (70.36%), H (6.79%), N (4.10%), O (18.74%)

Molar Mass: 341.407

Atom Count: 48

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 341.162708225
Formal Charge 0
FSP3 0.3
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey JMEFJZPUOYOJOM-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 95.13
Topological Polar Surface Area 75.63
Polarizability 38.41
Ring Count 2
Rotatable Bond Count 7

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