1-{thieno[2,3-d]pyrimidin-4-yl}pyrrolidine-2-carboxylic acid


Chemical Name: 1-{thieno[2,3-d]pyrimidin-4-yl}pyrrolidine-2-carboxylic acid
CAS Number: 1028366-39-3
Product Number: AG01DUBN(AG01DUBN)
Synonyms:
MDL No:
Molecular Formula: C11H11N3O2S
Molecular Weight: 249.2889

Identification/Properties


Computed Properties
Molecular Weight:
249.288g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
2
Exact Mass:
249.057g/mol
Monoisotopic Mass:
249.057g/mol
Topological Polar Surface Area:
94.6A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
315
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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