Home Carbonyls 3-{[(9H-fluoren-9-ylmethoxy)carbonyl](pyridin-2-ylmethyl)amino}propanoic acid

3-{[(9H-fluoren-9-ylmethoxy)carbonyl](pyridin-2-ylmethyl)amino}propanoic acid

CAS No.:
2137634-98-9
Catalog Number:
AG01EKDO
Molecular Formula:
C24H22N2O4
Molecular Weight:
402.4425
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Product Description
Catalog Number:
AG01EKDO
Chemical Name:
3-{[(9H-fluoren-9-ylmethoxy)carbonyl](pyridin-2-ylmethyl)amino}propanoic acid
CAS Number:
2137634-98-9
Molecular Formula:
C24H22N2O4
Molecular Weight:
402.4425
MDL Number:
MFCD31592936
IUPAC Name:
3-[9H-fluoren-9-ylmethoxycarbonyl(pyridin-2-ylmethyl)amino]propanoic acid
InChI:
InChI=1S/C24H22N2O4/c27-23(28)12-14-26(15-17-7-5-6-13-25-17)24(29)30-16-22-20-10-3-1-8-18(20)19-9-2-4-11-21(19)22/h1-11,13,22H,12,14-16H2,(H,27,28)
InChI Key:
MXWWBBGFXCCAJX-UHFFFAOYSA-N
SMILES:
OC(=O)CCN(C(=O)OCC1c2ccccc2c2c1cccc2)Cc1ccccn1
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