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ethyl 3-{3-[(tert-butoxycarbonyl)amino]phenyl}-3-hydroxyprop-2-enoate

ethyl 3-{3-[(tert-butoxycarbonyl)amino]phenyl}-3-hydroxyprop-2-enoate

CAS: 1017781-47-3

Formula: C16H21NO5

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

IUPAC: ethyl 3-(3-{[(tert-butoxy)carbonyl]amino}phenyl)-3-hydroxyprop-2-enoate

InChI: InChI=1S/C16H21NO5/c1-5-21-14(19)10-13(18)11-7-6-8-12(9-11)17-15(20)22-16(2,3)4/h6-10,18H,5H2,1-4H3,(H,17,20)

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 0
Exact Mass 307.14197278
Formal Charge 0
FSP3 0.37
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey KTHVGOJFAWDPAJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 84.76
Topological Polar Surface Area 84.86
Polarizability 31.79
Ring Count 1
Rotatable Bond Count 7

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