Home Carbonyls 2-(4-{[(9H-fluoren-9-yl)methoxy]carbonyl}piperazin-1-yl)-2-methylpropanoic acid

2-(4-{[(9H-fluoren-9-yl)methoxy]carbonyl}piperazin-1-yl)-2-methylpropanoic acid

CAS No.:
2138005-68-0
Catalog Number:
AG01EKN6
Molecular Formula:
C23H26N2O4
Molecular Weight:
394.4635
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Product Description
Catalog Number:
AG01EKN6
Chemical Name:
2-(4-{[(9H-fluoren-9-yl)methoxy]carbonyl}piperazin-1-yl)-2-methylpropanoic acid
CAS Number:
2138005-68-0
Molecular Formula:
C23H26N2O4
Molecular Weight:
394.4635
MDL Number:
MFCD31558811
IUPAC Name:
2-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]-2-methylpropanoic acid
InChI:
InChI=1S/C23H26N2O4/c1-23(2,21(26)27)25-13-11-24(12-14-25)22(28)29-15-20-18-9-5-3-7-16(18)17-8-4-6-10-19(17)20/h3-10,20H,11-15H2,1-2H3,(H,26,27)
InChI Key:
RQJPJZWTGLIZQX-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)C(C(=O)O)(C)C)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
592  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.189g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
394.471g/mol
Monoisotopic Mass:
394.189g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties