Text Search
Structure Search

(3S)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-(2-fluorophenyl)butanoic acid

(3S)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-(2-fluorophenyl)butanoic acid

CAS: 270596-49-1

Formula: C25H22FNO4

SMILES: OC(=O)C[C@H](CC1=CC=CC=C1F)NC(=O)OCC1C2=CC=CC=C2C2=C1C=CC=C2

IUPAC: (3S)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4-(2-fluorophenyl)butanoic acid

InChI: InChI=1S/C25H22FNO4/c26-23-12-6-1-7-16(23)13-17(14-24(28)29)27-25(30)31-15-22-20-10-4-2-8-18(20)19-9-3-5-11-21(19)22/h1-12,17,22H,13-15H2,(H,27,30)(H,28,29)/t17-/m0/s1

Composition: C (71.59%), H (5.29%), F (4.53%), N (3.34%), O (15.26%)

Molar Mass: 419.452

Atom Count: 53

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 419.153286355
Formal Charge 0
FSP3 0.2
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey QGZZXPYYCHIOHR-KRWDZBQOSA-N
Lipinski's Rule of Five 1
Molar Refractivity 114.04
Topological Polar Surface Area 75.63
Polarizability 45.08
Ring Count 4
Rotatable Bond Count 8

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime CAS PacketSize UnitPrice
97% <5 Days 270596-49-1 $132.41-$372.00$132.41$176.54$372.00
Request Quote