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2-[(tert-butoxycarbonyl)amino]-2-phenylpropanoic acid

2-[(tert-butoxycarbonyl)amino]-2-phenylpropanoic acid

CAS: 390401-40-8

Formula: C14H19NO4

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

IUPAC: 2-{[(tert-butoxy)carbonyl]amino}-2-phenylpropanoic acid

InChI: InChI=1/C14H19NO4/c1-13(2,3)19-12(18)15-14(4,11(16)17)10-8-6-5-7-9-10/h5-9H,1-4H3,(H,15,18)(H,16,17)

Composition: C (63.38%), H (7.22%), N (5.28%), O (24.12%)

Molar Mass: 265.309

Atom Count: 38

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 265.131408096
Formal Charge 0
FSP3 0.43
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey WOGUASPHMADVMU-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 69.95
Topological Polar Surface Area 75.63
Polarizability 27.49
Ring Count 1
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 390401-40-8 $141.12-$646.08$141.12$215.04$646.08
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