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

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

CAS: 14676-00-7

Formula: C13H25NO4

SMILES: CCCCCCC(NC(=O)OC(C)(C)C)C(O)=O

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

InChI: InChI=1/C13H25NO4/c1-5-6-7-8-9-10(11(15)16)14-12(17)18-13(2,3)4/h10H,5-9H2,1-4H3,(H,14,17)(H,15,16)

Composition: C (60.21%), H (9.72%), N (5.40%), O (24.68%)

Molar Mass: 259.346

Atom Count: 43

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 259.178358289
Formal Charge 0
FSP3 0.85
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey PGJIJHNIIQRRGV-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 68.3
Topological Polar Surface Area 75.63
Polarizability 27.13
Ring Count 0
Rotatable Bond Count 9

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 14676-00-7 $374.33-$973.25$374.33$973.25
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