Home Carboxys 1-[2-(morpholin-4-yl)ethyl]-1H-pyrrole-2-carboxylic acid

1-[2-(morpholin-4-yl)ethyl]-1H-pyrrole-2-carboxylic acid

CAS No.:
896048-76-3
Catalog Number:
AG01AGHY
Molecular Formula:
C11H16N2O3
Molecular Weight:
224.2563
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Product Description
Catalog Number:
AG01AGHY
Chemical Name:
1-[2-(morpholin-4-yl)ethyl]-1H-pyrrole-2-carboxylic acid
CAS Number:
896048-76-3
Molecular Formula:
C11H16N2O3
Molecular Weight:
224.2563
MDL Number:
MFCD05174978
IUPAC Name:
1-(2-morpholin-4-ylethyl)pyrrole-2-carboxylic acid
InChI:
InChI=1S/C11H16N2O3/c14-11(15)10-2-1-3-13(10)5-4-12-6-8-16-9-7-12/h1-3H,4-9H2,(H,14,15)
InChI Key:
JLJLSVZPHCBNGL-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccn1CCN1CCOCC1
Properties
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.116g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
224.26g/mol
Monoisotopic Mass:
224.116g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.2  
Properties