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3-(2H-1,3-benzodioxol-5-yl)-3-[(tert-butoxycarbonyl)amino]propanoic acid

3-(2H-1,3-benzodioxol-5-yl)-3-[(tert-butoxycarbonyl)amino]propanoic acid

CAS: 149520-06-9

Formula: C15H19NO6

SMILES: CC(C)(C)OC(=O)NC(CC(O)=O)C1=CC=C2OCOC2=C1

IUPAC: 3-(2H-1,3-benzodioxol-5-yl)-3-{[(tert-butoxy)carbonyl]amino}propanoic acid

InChI: InChI=1/C15H19NO6/c1-15(2,3)22-14(19)16-10(7-13(17)18)9-4-5-11-12(6-9)21-8-20-11/h4-6,10H,7-8H2,1-3H3,(H,16,19)(H,17,18)

Composition: C (58.25%), H (6.19%), N (4.53%), O (31.03%)

Molar Mass: 309.318

Atom Count: 41

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 309.121237336
Formal Charge 0
FSP3 0.47
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey UOQWIQGAZKFCDC-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 75.63
Topological Polar Surface Area 94.09
Polarizability 30.04
Ring Count 2
Rotatable Bond Count 6

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95% <2 Days 149520-06-9 $51.35-$359.43$51.35$63.37$86.31$225.06$359.43
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