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Home Carbonyls Butanoic acid, 4-[[(cyclohexylamino)carbonyl]amino]-

Butanoic acid, 4-[[(cyclohexylamino)carbonyl]amino]-

CAS No.:
511552-46-8
Catalog Number:
AG00I95O
Molecular Formula:
C11H20N2O3
Molecular Weight:
228.2881
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Product Description
Catalog Number:
AG00I95O
Chemical Name:
Butanoic acid, 4-[[(cyclohexylamino)carbonyl]amino]-
CAS Number:
511552-46-8
Molecular Formula:
C11H20N2O3
Molecular Weight:
228.2881
MDL Number:
MFCD08442345
IUPAC Name:
4-(cyclohexylcarbamoylamino)butanoic acid
InChI:
InChI=1S/C11H20N2O3/c14-10(15)7-4-8-12-11(16)13-9-5-2-1-3-6-9/h9H,1-8H2,(H,14,15)(H2,12,13,16)
InChI Key:
WSVFRGGLURJIMG-UHFFFAOYSA-N
SMILES:
O=C(NC1CCCCC1)NCCCC(=O)O
Properties
Complexity:
237  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.147g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
228.292g/mol
Monoisotopic Mass:
228.147g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Literature
Title Journal
Peptidyl-urea based inhibitors of soluble epoxide hydrolases. Bioorganic & medicinal chemistry letters 20061015
Human soluble epoxide hydrolase: structural basis of inhibition by 4-(3-cyclohexylureido)-carboxylic acids. Protein science : a publication of the Protein Society 20060101
Properties