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304859-15-2 | 3-Pyrrolidinecarboxylic acid, 5-oxo-1-(4-pyridinylmethyl)-
CAS No: 304859-15-2 Catalog No: AG0030AR MDL No:MFCD06589808
Product Description
Catalog Number:
AG0030AR
Chemical Name:
3-Pyrrolidinecarboxylic acid, 5-oxo-1-(4-pyridinylmethyl)-
CAS Number:
304859-15-2
Molecular Formula:
C11H12N2O3
Molecular Weight:
220.2246
MDL Number:
MFCD06589808
IUPAC Name:
5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C11H12N2O3/c14-10-5-9(11(15)16)7-13(10)6-8-1-3-12-4-2-8/h1-4,9H,5-7H2,(H,15,16)
InChI Key:
BCJSOSLBUXFEGE-UHFFFAOYSA-N
SMILES:
OC(=O)C1CN(C(=O)C1)Cc1ccncc1
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.228g/mol
Monoisotopic Mass:
220.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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