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methyl (2S)-3-[4-(2-azidoethoxy)phenyl]-2-[(tert-butoxycarbonyl)amino]propanoate

methyl (2S)-3-[4-(2-azidoethoxy)phenyl]-2-[(tert-butoxycarbonyl)amino]propanoate

CAS: 1434445-06-3

Formula: C17H24N4O5

SMILES: COC(=O)[C@H](CC1=CC=C(OCCN=[N+]=[N-])C=C1)NC(=O)OC(C)(C)C

IUPAC: methyl (2S)-3-[4-(2-azidoethoxy)phenyl]-2-{[(tert-butoxy)carbonyl]amino}propanoate

InChI: InChI=1S/C17H24N4O5/c1-17(2,3)26-16(23)20-14(15(22)24-4)11-12-5-7-13(8-6-12)25-10-9-19-21-18/h5-8,14H,9-11H2,1-4H3,(H,20,23)/t14-/m0/s1

Composition: C (56.03%), H (6.64%), N (15.38%), O (21.95%)

Molar Mass: 364.402

Atom Count: 50

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 364.174669889
Formal Charge 0
FSP3 0.53
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey WPKORRIGARAFMJ-AWEZNQCLSA-N
Lipinski's Rule of Five 1
Molar Refractivity 93.81
Topological Polar Surface Area 103.29
Polarizability 36.28
Ring Count 1
Rotatable Bond Count 11

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Purity (%)
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Ships Within
Days
Packet Size
Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 1434445-06-3 $359.10-$1,209.60$359.10$718.20$1,209.60
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