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2614-66-6 | 2,2-Pyrrolidinedicarboxylic acid, 5-oxo-3-pentyl-, 2,2-diethyl ester
CAS No: 2614-66-6 Catalog No: AG002RUN MDL No:
Product Description
Catalog Number:
AG002RUN
Chemical Name:
2,2-Pyrrolidinedicarboxylic acid, 5-oxo-3-pentyl-, 2,2-diethyl ester
CAS Number:
2614-66-6
Molecular Formula:
C15H25NO5
Molecular Weight:
299.3627
IUPAC Name:
diethyl 5-oxo-3-pentylpyrrolidine-2,2-dicarboxylate
InChI:
InChI=1S/C15H25NO5/c1-4-7-8-9-11-10-12(17)16-15(11,13(18)20-5-2)14(19)21-6-3/h11H,4-10H2,1-3H3,(H,16,17)
InChI Key:
TXINKKHOJBNOBM-UHFFFAOYSA-N
SMILES:
CCCCCC1CC(=O)NC1(C(=O)OCC)C(=O)OCC
NSC Number:
82083
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.173g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
299.367g/mol
Monoisotopic Mass:
299.173g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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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