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1178188-52-7 | 5-{[2-(pyrrolidin-1-yl)pyridin-3-yl]carbamoyl}pentanoic acid
CAS No: 1178188-52-7 Catalog No: AG01AFWO MDL No:MFCD27920254
Product Description
Catalog Number:
AG01AFWO
Chemical Name:
5-{[2-(pyrrolidin-1-yl)pyridin-3-yl]carbamoyl}pentanoic acid
CAS Number:
1178188-52-7
Molecular Formula:
C15H21N3O3
Molecular Weight:
291.3455
MDL Number:
MFCD27920254
IUPAC Name:
6-oxo-6-[(2-pyrrolidin-1-ylpyridin-3-yl)amino]hexanoic acid
InChI:
InChI=1S/C15H21N3O3/c19-13(7-1-2-8-14(20)21)17-12-6-5-9-16-15(12)18-10-3-4-11-18/h5-6,9H,1-4,7-8,10-11H2,(H,17,19)(H,20,21)
InChI Key:
CRRUJYNQFULJAJ-UHFFFAOYSA-N
SMILES:
O=C(Nc1cccnc1N1CCCC1)CCCCC(=O)O
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.158g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
291.351g/mol
Monoisotopic Mass:
291.158g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
82.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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