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4-{[(benzyloxy)carbonyl]amino}-4-(pyridin-2-yl)butanoic acid

4-{[(benzyloxy)carbonyl]amino}-4-(pyridin-2-yl)butanoic acid

CAS: 2360221-58-3

Formula: C17H18N2O4

SMILES: OC(=O)CCC(NC(=O)OCC1=CC=CC=C1)C1=CC=CC=N1

IUPAC: 4-{[(benzyloxy)carbonyl]amino}-4-(pyridin-2-yl)butanoic acid

InChI: InChI=1/C17H18N2O4/c20-16(21)10-9-15(14-8-4-5-11-18-14)19-17(22)23-12-13-6-2-1-3-7-13/h1-8,11,15H,9-10,12H2,(H,19,22)(H,20,21)

Composition: C (64.96%), H (5.77%), N (8.91%), O (20.36%)

Molar Mass: 314.341

Atom Count: 41

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 314.126657068
Formal Charge 0
FSP3 0.24
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey XIURFKSFCRWTOC-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 82.82
Topological Polar Surface Area 88.52
Polarizability 32.5
Ring Count 2
Rotatable Bond Count 8

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97% <2 Days 2360221-58-3 $2,162.00-$7,912.00$2,162.00$7,912.00
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