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

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

CAS No.:
376588-52-2
Catalog Number:
AG01AJMC
Molecular Formula:
C25H23NO5
Molecular Weight:
417.4538
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Product Description
Catalog Number:
AG01AJMC
Chemical Name:
2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-(3-methoxyphenyl)propanoic acid
CAS Number:
376588-52-2
Molecular Formula:
C25H23NO5
Molecular Weight:
417.4538
MDL Number:
MFCD17214478
IUPAC Name:
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(3-methoxyphenyl)propanoic acid
InChI:
InChI=1S/C25H23NO5/c1-30-17-8-6-7-16(13-17)14-23(24(27)28)26-25(29)31-15-22-20-11-4-2-9-18(20)19-10-3-5-12-21(19)22/h2-13,22-23H,14-15H2,1H3,(H,26,29)(H,27,28)
InChI Key:
IKKQVAWYVGALAQ-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)CC(C(=O)O)NC(=O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
603  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
417.158g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
417.461g/mol
Monoisotopic Mass:
417.158g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6  
Properties