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(2S)-2-amino-3-{3'-methyl-[1,1'-biphenyl]-4-yl}propanoic acid

(2S)-2-amino-3-{3'-methyl-[1,1'-biphenyl]-4-yl}propanoic acid

CAS: 1241680-67-0

Formula: C16H17NO2

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

IUPAC: (2S)-2-amino-3-{3'-methyl-[1,1'-biphenyl]-4-yl}propanoic acid

InChI: InChI=1S/C16H17NO2/c1-11-3-2-4-14(9-11)13-7-5-12(6-8-13)10-15(17)16(18)19/h2-9,15H,10,17H2,1H3,(H,18,19)/t15-/m0/s1

Composition: C (75.27%), H (6.71%), N (5.49%), O (12.53%)

Molar Mass: 255.317

Atom Count: 36

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 255.125928791
Formal Charge 0
FSP3 0.19
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey KNGPCDWTKTUSBB-HNNXBMFYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 75.29
Topological Polar Surface Area 63.32
Polarizability 30.65
Ring Count 2
Rotatable Bond Count 4

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