Home Carbonyls 2-{[(9H-fluoren-9-ylmethoxy)carbonyl][(3-methylphenyl)methyl]amino}acetic acid

2-{[(9H-fluoren-9-ylmethoxy)carbonyl][(3-methylphenyl)methyl]amino}acetic acid

CAS No.:
2138196-65-1
Catalog Number:
AG01EKGD
Molecular Formula:
C25H23NO4
Molecular Weight:
401.4544
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Product Description
Catalog Number:
AG01EKGD
Chemical Name:
2-{[(9H-fluoren-9-ylmethoxy)carbonyl][(3-methylphenyl)methyl]amino}acetic acid
CAS Number:
2138196-65-1
Molecular Formula:
C25H23NO4
Molecular Weight:
401.4544
MDL Number:
MFCD31592326
IUPAC Name:
2-[9H-fluoren-9-ylmethoxycarbonyl-[(3-methylphenyl)methyl]amino]acetic acid
InChI:
InChI=1S/C25H23NO4/c1-17-7-6-8-18(13-17)14-26(15-24(27)28)25(29)30-16-23-21-11-4-2-9-19(21)20-10-3-5-12-22(20)23/h2-13,23H,14-16H2,1H3,(H,27,28)
InChI Key:
GFCOUHQJYIFXJZ-UHFFFAOYSA-N
SMILES:
OC(=O)CN(C(=O)OCC1c2ccccc2c2c1cccc2)Cc1cccc(c1)C
Properties
Complexity:
586  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
401.163g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
401.462g/mol
Monoisotopic Mass:
401.163g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7  
Properties