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2-[(tert-butoxycarbonyl)amino]-3-(4-hydroxyphenyl)butanoic acid

2-[(tert-butoxycarbonyl)amino]-3-(4-hydroxyphenyl)butanoic acid

CAS: 321524-49-6

Formula: C15H21NO5

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

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

InChI: InChI=1/C15H21NO5/c1-9(10-5-7-11(17)8-6-10)12(13(18)19)16-14(20)21-15(2,3)4/h5-9,12,17H,1-4H3,(H,16,20)(H,18,19)

Composition: C (61.00%), H (7.17%), N (4.74%), O (27.09%)

Molar Mass: 295.335

Atom Count: 42

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 295.14197278
Formal Charge 0
FSP3 0.47
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey GXJGIYFYNRRZGU-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 76.44
Topological Polar Surface Area 95.86
Polarizability 29.97
Ring Count 1
Rotatable Bond Count 6

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 321524-49-6 $342.70-$6,762.00$342.70$457.70$687.70$1,147.70$1,817.00$6,762.00
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