Home Other Building Blocks 4-(ethylcarbamoyl)butanoic acid

4-(ethylcarbamoyl)butanoic acid

CAS No.:
75727-33-2
Catalog Number:
AG01AAHI
Molecular Formula:
C7H13NO3
Molecular Weight:
159.1830
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Product Description
Catalog Number:
AG01AAHI
Chemical Name:
4-(ethylcarbamoyl)butanoic acid
CAS Number:
75727-33-2
Molecular Formula:
C7H13NO3
Molecular Weight:
159.1830
IUPAC Name:
5-(ethylamino)-5-oxopentanoic acid
InChI:
InChI=1S/C7H13NO3/c1-2-8-6(9)4-3-5-7(10)11/h2-5H2,1H3,(H,8,9)(H,10,11)
InChI Key:
SSTGFNDNZPNRMJ-UHFFFAOYSA-N
SMILES:
CCNC(=O)CCCC(=O)O
Properties
Complexity:
145  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.09g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
159.185g/mol
Monoisotopic Mass:
159.09g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Properties