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3-{4-[(benzyloxy)carbonyl]-1-(tert-butoxycarbonyl)piperazin-2-yl}propanoic acid

3-{4-[(benzyloxy)carbonyl]-1-(tert-butoxycarbonyl)piperazin-2-yl}propanoic acid

Formula: C20H28N2O6

SMILES: CC(C)(C)OC(=O)N1CCN(CC1CCC(O)=O)C(=O)OCC1=CC=CC=C1

IUPAC: 3-{4-[(benzyloxy)carbonyl]-1-[(tert-butoxy)carbonyl]piperazin-2-yl}propanoic acid

InChI: InChI=1/C20H28N2O6/c1-20(2,3)28-19(26)22-12-11-21(13-16(22)9-10-17(23)24)18(25)27-14-15-7-5-4-6-8-15/h4-8,16H,9-14H2,1-3H3,(H,23,24)

Composition: C (61.21%), H (7.19%), N (7.14%), O (24.46%)

Molar Mass: 392.452

Atom Count: 56

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 392.19473663
Formal Charge 0
FSP3 0.55
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey MPVRNWLHKJERLT-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 101.46
Topological Polar Surface Area 96.38
Polarizability 39.77
Ring Count 2
Rotatable Bond Count 8

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
J&W PHARMLAB LLC
Purity LeadTime Formula PacketSize UnitPrice
96% <2 Days C20H28N2O6 $1,587.00-$9,197.70$1,587.00$2,297.70$9,197.70
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