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benzyl 2-[(tert-butoxycarbonyl)amino]-3-hydroxypropanoate

benzyl 2-[(tert-butoxycarbonyl)amino]-3-hydroxypropanoate

CAS: 59524-02-6

Formula: C15H21NO5

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

IUPAC: benzyl 2-{[(tert-butoxy)carbonyl]amino}-3-hydroxypropanoate

InChI: InChI=1/C15H21NO5/c1-15(2,3)21-14(19)16-12(9-17)13(18)20-10-11-7-5-4-6-8-11/h4-8,12,17H,9-10H2,1-3H3,(H,16,19)

Composition: C (61.00%), H (7.17%), N (4.74%), O (27.09%)

Molar Mass: 295.335

Atom Count: 42

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 295.14197278
Formal Charge 0
FSP3 0.47
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey BQADRZHPZVQGCW-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 76.3
Topological Polar Surface Area 84.86
Polarizability 30.23
Ring Count 1
Rotatable Bond Count 8

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Key Organics Ltd
Purity LeadTime CAS PacketSize UnitPrice
98% <2 Days 59524-02-6 $51.35-$191.19$51.35$63.37$75.38$86.31$191.19
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