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146144-48-1

146144-48-1 | Butanoic acid, 3-[[2-[(3R)-2-oxo-3-[2-(4-piperidinyl)ethyl]-1-piperidinyl]acetyl]amino]-, (3R)-

CAS No: 146144-48-1 Catalog No: AG001DQG MDL No:

Product Description

Catalog Number:
AG001DQG
Chemical Name:
Butanoic acid, 3-[[2-[(3R)-2-oxo-3-[2-(4-piperidinyl)ethyl]-1-piperidinyl]acetyl]amino]-, (3R)-
CAS Number:
146144-48-1
Molecular Formula:
C18H31N3O4
Molecular Weight:
353.4564
IUPAC Name:
(3R)-3-[[2-[(3R)-2-oxo-3-(2-piperidin-4-ylethyl)piperidin-1-yl]acetyl]amino]butanoic acid
InChI:
InChI=1S/C18H31N3O4/c1-13(11-17(23)24)20-16(22)12-21-10-2-3-15(18(21)25)5-4-14-6-8-19-9-7-14/h13-15,19H,2-12H2,1H3,(H,20,22)(H,23,24)/t13-,15+/m1/s1
InChI Key:
SFFMYDBKYYBJRY-HIFRSBDPSA-N
SMILES:
C[C@H](CC(=O)O)NC(=O)CN1CCC[C@H](C1=O)CCC1CCNCC1
UNII:
3JRV8H947H

Properties

Complexity:
477  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
353.231g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
353.463g/mol
Monoisotopic Mass:
353.231g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
98.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6  

Literature

Title Journal
Platelet glycoprotein IIb-IIIa antagonists as prototypical integrin blockers: novel parenteral and potential oral antithrombotic agents. Journal of medicinal chemistry 20000921

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