Home Carbonyls 2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2-phenylbutanoic acid

2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2-phenylbutanoic acid

CAS No.:
1698118-33-0
Catalog Number:
AG01EKBS
Molecular Formula:
C25H23NO4
Molecular Weight:
401.4544
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Product Description
Catalog Number:
AG01EKBS
Chemical Name:
2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2-phenylbutanoic acid
CAS Number:
1698118-33-0
Molecular Formula:
C25H23NO4
Molecular Weight:
401.4544
MDL Number:
MFCD31617204
IUPAC Name:
2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-phenylbutanoic acid
InChI:
InChI=1S/C25H23NO4/c1-2-25(23(27)28,17-10-4-3-5-11-17)26-24(29)30-16-22-20-14-8-6-12-18(20)19-13-7-9-15-21(19)22/h3-15,22H,2,16H2,1H3,(H,26,29)(H,27,28)
InChI Key:
FJBCXMZGTLZLFP-UHFFFAOYSA-N
SMILES:
CCC(c1ccccc1)(C(=O)O)NC(=O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
594  
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:
2  
Isotope Atom Count:
0
Molecular Weight:
401.462g/mol
Monoisotopic Mass:
401.163g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1  
Properties