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4-[benzyl(tert-butoxycarbonyl)amino]butanoic acid

4-[benzyl(tert-butoxycarbonyl)amino]butanoic acid

CAS: 213772-01-1

Formula: C16H23NO4

SMILES: CC(C)(C)OC(=O)N(CCCC(O)=O)CC1=CC=CC=C1

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

InChI: InChI=1S/C16H23NO4/c1-16(2,3)21-15(20)17(11-7-10-14(18)19)12-13-8-5-4-6-9-13/h4-6,8-9H,7,10-12H2,1-3H3,(H,18,19)

Composition: C (65.51%), H (7.90%), N (4.77%), O (21.81%)

Molar Mass: 293.363

Atom Count: 44

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 293.162708225
Formal Charge 0
FSP3 0.5
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey PCKHPPARUKMUTN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 79.84
Topological Polar Surface Area 66.84
Polarizability 31.17
Ring Count 1
Rotatable Bond Count 8

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Purity LeadTime CAS PacketSize UnitPrice
95% <4 Days 213772-01-1 $28.75-$708.40$28.75$93.15$189.75$465.75$708.40
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