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177746-68-8

177746-68-8 | 1-Propanone, 2-amino-3-cyclohexyl-1-(1-pyrrolidinyl)-, (2S)-

CAS No: 177746-68-8 Catalog No: AG0025J4 MDL No:

Product Description

Catalog Number:
AG0025J4
Chemical Name:
1-Propanone, 2-amino-3-cyclohexyl-1-(1-pyrrolidinyl)-, (2S)-
CAS Number:
177746-68-8
Molecular Formula:
C13H24N2O
Molecular Weight:
224.3425
IUPAC Name:
(2S)-2-amino-3-cyclohexyl-1-pyrrolidin-1-ylpropan-1-one
InChI:
InChI=1S/C13H24N2O/c14-12(10-11-6-2-1-3-7-11)13(16)15-8-4-5-9-15/h11-12H,1-10,14H2/t12-/m0/s1
InChI Key:
MGRBWAQKODFLLG-LBPRGKRZSA-N
SMILES:
O=C(N1CCCC1)[C@H](CC1CCCCC1)N

Properties

Complexity:
230  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
224.189g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
224.348g/mol
Monoisotopic Mass:
224.189g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  

Literature

Title Journal
Inhibitors of dipeptidyl peptidase 8 and dipeptidyl peptidase 9. Part 1: identification of dipeptide derived leads. Bioorganic & medicinal chemistry letters 20080715

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