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1009237-29-9 | 2-Pyrrolidinecarboxamide, N-(1,3-benzodioxol-5-ylmethyl)-5-oxo-
CAS No: 1009237-29-9 Catalog No: AG000373 MDL No:
Product Description
Catalog Number:
AG000373
Chemical Name:
2-Pyrrolidinecarboxamide, N-(1,3-benzodioxol-5-ylmethyl)-5-oxo-
CAS Number:
1009237-29-9
Molecular Formula:
C13H14N2O4
Molecular Weight:
262.2613
IUPAC Name:
N-(1,3-benzodioxol-5-ylmethyl)-5-oxopyrrolidine-2-carboxamide
InChI:
InChI=1S/C13H14N2O4/c16-12-4-2-9(15-12)13(17)14-6-8-1-3-10-11(5-8)19-7-18-10/h1,3,5,9H,2,4,6-7H2,(H,14,17)(H,15,16)
InChI Key:
YRCSWHRQGIPMTR-UHFFFAOYSA-N
SMILES:
O=C1CCC(N1)C(=O)NCc1ccc2c(c1)OCO2
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
262.265g/mol
Monoisotopic Mass:
262.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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