Home Carbonyls 2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4-(pyridin-2-yl)butanoic acid

2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4-(pyridin-2-yl)butanoic acid

CAS No.:
1694526-75-4
Catalog Number:
AG01EKES
Molecular Formula:
C24H22N2O4
Molecular Weight:
402.4425
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Product Description
Catalog Number:
AG01EKES
Chemical Name:
2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4-(pyridin-2-yl)butanoic acid
CAS Number:
1694526-75-4
Molecular Formula:
C24H22N2O4
Molecular Weight:
402.4425
MDL Number:
MFCD31665068
IUPAC Name:
2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-pyridin-2-ylbutanoic acid
InChI:
InChI=1S/C24H22N2O4/c27-23(28)22(13-12-16-7-5-6-14-25-16)26-24(29)30-15-21-19-10-3-1-8-17(19)18-9-2-4-11-20(18)21/h1-11,14,21-22H,12-13,15H2,(H,26,29)(H,27,28)
InChI Key:
VHWPDXWRLJJBHA-UHFFFAOYSA-N
SMILES:
O=C(NC(C(=O)O)CCc1ccccn1)OCC1c2ccccc2c2c1cccc2
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:
2  
Isotope Atom Count:
0
Molecular Weight:
402.45g/mol
Monoisotopic Mass:
402.158g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
88.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Properties