Home Carboxys 2-cyclopropyl-6-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]pyridine-3-carboxylic acid

2-cyclopropyl-6-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]pyridine-3-carboxylic acid

CAS No.:
2094513-88-7
Catalog Number:
AG01EKLA
Molecular Formula:
C25H22N2O4
Molecular Weight:
414.4532
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Product Description
Catalog Number:
AG01EKLA
Chemical Name:
2-cyclopropyl-6-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]pyridine-3-carboxylic acid
CAS Number:
2094513-88-7
Molecular Formula:
C25H22N2O4
Molecular Weight:
414.4532
MDL Number:
MFCD31421520
IUPAC Name:
2-cyclopropyl-6-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]pyridine-3-carboxylic acid
InChI:
InChI=1S/C25H22N2O4/c28-24(29)21-12-11-16(27-23(21)15-9-10-15)13-26-25(30)31-14-22-19-7-3-1-5-17(19)18-6-2-4-8-20(18)22/h1-8,11-12,15,22H,9-10,13-14H2,(H,26,30)(H,28,29)
InChI Key:
GLMWNDBIJIHRIC-UHFFFAOYSA-N
SMILES:
O=C(NCc1ccc(c(n1)C1CC1)C(=O)O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
644  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
414.158g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
414.461g/mol
Monoisotopic Mass:
414.158g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
88.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties