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benzyl 2-[(tert-butoxycarbonyl)amino]-3-(4-hydroxyphenyl)propanoate

benzyl 2-[(tert-butoxycarbonyl)amino]-3-(4-hydroxyphenyl)propanoate

Formula: C21H25NO5

SMILES: CC(C)(C)OC(=O)NC(CC1=CC=C(O)C=C1)C(=O)OCC1=CC=CC=C1

IUPAC: benzyl 2-{[(tert-butoxy)carbonyl]amino}-3-(4-hydroxyphenyl)propanoate

InChI: InChI=1/C21H25NO5/c1-21(2,3)27-20(25)22-18(13-15-9-11-17(23)12-10-15)19(24)26-14-16-7-5-4-6-8-16/h4-12,18,23H,13-14H2,1-3H3,(H,22,25)

Composition: C (67.91%), H (6.78%), N (3.77%), O (21.54%)

Molar Mass: 371.433

Atom Count: 52

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 371.173272909
Formal Charge 0
FSP3 0.33
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey HZDNRJRGRZEVCM-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 101.35
Topological Polar Surface Area 84.86
Polarizability 39.77
Ring Count 2
Rotatable Bond Count 9

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Molecule Market Select
Purity LeadTime Formula UnitPrice
98% <14 Days C21H25NO5 Quote Only