Home Carbonyls 2-[4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)piperidin-4-yl]acetic acid, trifluoroacetic acid

2-[4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)piperidin-4-yl]acetic acid, trifluoroacetic acid

CAS No.:
2138127-97-4
Catalog Number:
AG01EIK5
Molecular Formula:
C24H25F3N2O6
Molecular Weight:
494.4603
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Product Description
Catalog Number:
AG01EIK5
Chemical Name:
2-[4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)piperidin-4-yl]acetic acid, trifluoroacetic acid
CAS Number:
2138127-97-4
Molecular Formula:
C24H25F3N2O6
Molecular Weight:
494.4603
MDL Number:
MFCD31559240
IUPAC Name:
2-[4-(9H-fluoren-9-ylmethoxycarbonylamino)piperidin-4-yl]acetic acid;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C22H24N2O4.C2HF3O2/c25-20(26)13-22(9-11-23-12-10-22)24-21(27)28-14-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19;3-2(4,5)1(6)7/h1-8,19,23H,9-14H2,(H,24,27)(H,25,26);(H,6,7)
InChI Key:
QMBTXUBWNHRASA-UHFFFAOYSA-N
SMILES:
OC(=O)C(F)(F)F.OC(=O)CC1(CCNCC1)NC(=O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
636  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
494.166g/mol
Formal Charge:
0
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
494.467g/mol
Monoisotopic Mass:
494.166g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties