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1260092-50-9 | Propanoic acid, 3-[2-[[3-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxopropyl]amino]ethoxy]-, 2,5-dioxo-1-pyrrolidinyl ester
CAS No: 1260092-50-9 Catalog No: AG000QRC MDL No:
Product Description
Catalog Number:
AG000QRC
Chemical Name:
Propanoic acid, 3-[2-[[3-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxopropyl]amino]ethoxy]-, 2,5-dioxo-1-pyrrolidinyl ester
CAS Number:
1260092-50-9
Molecular Formula:
C16H19N3O8
Molecular Weight:
381.3374
IUPAC Name:
(2,5-dioxopyrrolidin-1-yl) 3-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]propanoate
InChI:
InChI=1S/C16H19N3O8/c20-11(5-8-18-12(21)1-2-13(18)22)17-7-10-26-9-6-16(25)27-19-14(23)3-4-15(19)24/h1-2H,3-10H2,(H,17,20)
InChI Key:
QXGYXAOYQWRQRZ-UHFFFAOYSA-N
SMILES:
O=C(CCN1C(=O)C=CC1=O)NCCOCCC(=O)ON1C(=O)CCC1=O
Properties
Complexity:
653
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
381.117g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
381.341g/mol
Monoisotopic Mass:
381.117g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.5
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