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2516-73-6 | 2,2,4-Pyrrolidinetricarboxylic acid, 3-ethyl-5-oxo-, 2,2,4-triethyl ester
CAS No: 2516-73-6 Catalog No: AG002QP5 MDL No:
Product Description
Catalog Number:
AG002QP5
Chemical Name:
2,2,4-Pyrrolidinetricarboxylic acid, 3-ethyl-5-oxo-, 2,2,4-triethyl ester
CAS Number:
2516-73-6
Molecular Formula:
C15H23NO7
Molecular Weight:
329.3456
IUPAC Name:
triethyl 3-ethyl-5-oxopyrrolidine-2,2,4-tricarboxylate
InChI:
InChI=1S/C15H23NO7/c1-5-9-10(12(18)21-6-2)11(17)16-15(9,13(19)22-7-3)14(20)23-8-4/h9-10H,5-8H2,1-4H3,(H,16,17)
InChI Key:
HVIHFCVIOUJFNA-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1C(=O)NC(C1CC)(C(=O)OCC)C(=O)OCC
NSC Number:
83647
Properties
Complexity:
470
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.147g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
329.349g/mol
Monoisotopic Mass:
329.147g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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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