Home Other Building Blocks 3-(ethylcarbamoyl)propanoic acid

3-(ethylcarbamoyl)propanoic acid

CAS No.:
21451-29-6
Catalog Number:
AG01AAKS
Molecular Formula:
C6H11NO3
Molecular Weight:
145.1564
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Product Description
Catalog Number:
AG01AAKS
Chemical Name:
3-(ethylcarbamoyl)propanoic acid
CAS Number:
21451-29-6
Molecular Formula:
C6H11NO3
Molecular Weight:
145.1564
MDL Number:
MFCD01343490
IUPAC Name:
4-(ethylamino)-4-oxobutanoic acid
InChI:
InChI=1S/C6H11NO3/c1-2-7-5(8)3-4-6(9)10/h2-4H2,1H3,(H,7,8)(H,9,10)
InChI Key:
HVMGZVKGWSZOFR-UHFFFAOYSA-N
SMILES:
CCNC(=O)CCC(=O)O
Properties
Complexity:
133  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.074g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
145.158g/mol
Monoisotopic Mass:
145.074g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7  
Properties