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3-{[(benzyloxy)carbonyl]amino}-3-methylbutanoic acid

3-{[(benzyloxy)carbonyl]amino}-3-methylbutanoic acid

CAS: 51219-55-7

Formula: C13H17NO4

SMILES: CC(C)(CC(O)=O)NC(=O)OCC1=CC=CC=C1

IUPAC: 3-{[(benzyloxy)carbonyl]amino}-3-methylbutanoic acid

InChI: InChI=1S/C13H17NO4/c1-13(2,8-11(15)16)14-12(17)18-9-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,14,17)(H,15,16)

Composition: C (62.14%), H (6.82%), N (5.57%), O (25.47%)

Molar Mass: 251.282

Atom Count: 35

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 251.115758031
Formal Charge 0
FSP3 0.38
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey LVFPDQUAUOUBPO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 65.44
Topological Polar Surface Area 75.63
Polarizability 25.66
Ring Count 1
Rotatable Bond Count 6

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Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 51219-55-7 $75.84-$344.64$75.84$114.24$344.64
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