Home Carbonyls 3-{[(9H-fluoren-9-ylmethoxy)carbonyl](pyridin-3-ylmethyl)amino}propanoic acid

3-{[(9H-fluoren-9-ylmethoxy)carbonyl](pyridin-3-ylmethyl)amino}propanoic acid

CAS No.:
2094414-27-2
Catalog Number:
AG01EKHQ
Molecular Formula:
C24H22N2O4
Molecular Weight:
402.4425
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Product Description
Catalog Number:
AG01EKHQ
Chemical Name:
3-{[(9H-fluoren-9-ylmethoxy)carbonyl](pyridin-3-ylmethyl)amino}propanoic acid
CAS Number:
2094414-27-2
Molecular Formula:
C24H22N2O4
Molecular Weight:
402.4425
MDL Number:
MFCD31592246
IUPAC Name:
3-[9H-fluoren-9-ylmethoxycarbonyl(pyridin-3-ylmethyl)amino]propanoic acid
InChI:
InChI=1S/C24H22N2O4/c27-23(28)11-13-26(15-17-6-5-12-25-14-17)24(29)30-16-22-20-9-3-1-7-18(20)19-8-2-4-10-21(19)22/h1-10,12,14,22H,11,13,15-16H2,(H,27,28)
InChI Key:
IJHOKTPTSOQINA-UHFFFAOYSA-N
SMILES:
OC(=O)CCN(C(=O)OCC1c2ccccc2c2c1cccc2)Cc1cccnc1
Properties
Complexity:
576  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.158g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
402.45g/mol
Monoisotopic Mass:
402.158g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
79.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties