Home Carboxys 2-ethyl-6-oxopiperidine-4-carboxylic acid

2-ethyl-6-oxopiperidine-4-carboxylic acid

CAS No.:
38478-84-1
Catalog Number:
AG01A63C
Molecular Formula:
C8H13NO3
Molecular Weight:
171.1937
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Product Description
Catalog Number:
AG01A63C
Chemical Name:
2-ethyl-6-oxopiperidine-4-carboxylic acid
CAS Number:
38478-84-1
Molecular Formula:
C8H13NO3
Molecular Weight:
171.1937
IUPAC Name:
2-ethyl-6-oxopiperidine-4-carboxylic acid
InChI:
InChI=1S/C8H13NO3/c1-2-6-3-5(8(11)12)4-7(10)9-6/h5-6H,2-4H2,1H3,(H,9,10)(H,11,12)
InChI Key:
WDCNXODZAAVYAP-UHFFFAOYSA-N
SMILES:
CCC1NC(=O)CC(C1)C(=O)O
NSC Number:
382846
Properties
Complexity:
203  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.09g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
171.196g/mol
Monoisotopic Mass:
171.09g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
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
Properties