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3-(4-acetylphenyl)-2-[(tert-butoxycarbonyl)amino]propanoic acid

3-(4-acetylphenyl)-2-[(tert-butoxycarbonyl)amino]propanoic acid

Formula: C16H21NO5

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

IUPAC: 3-(4-acetylphenyl)-2-{[(tert-butoxy)carbonyl]amino}propanoic acid

InChI: InChI=1/C16H21NO5/c1-10(18)12-7-5-11(6-8-12)9-13(14(19)20)17-15(21)22-16(2,3)4/h5-8,13H,9H2,1-4H3,(H,17,21)(H,19,20)

Composition: C (62.53%), H (6.89%), N (4.56%), O (26.03%)

Molar Mass: 307.346

Atom Count: 43

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 307.14197278
Formal Charge 0
FSP3 0.44
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey YVBRFBNRDRVUAF-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 80.39
Topological Polar Surface Area 92.7
Polarizability 31.26
Ring Count 1
Rotatable Bond Count 7

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Purity LeadTime Formula UnitPrice
98% <10 Days C16H21NO5 Quote Only