Home Other Building Blocks 3-(N-benzylacetamido)propanoic acid

3-(N-benzylacetamido)propanoic acid

CAS No.:
1181590-67-9
Catalog Number:
AG01A9C1
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
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Product Description
Catalog Number:
AG01A9C1
Chemical Name:
3-(N-benzylacetamido)propanoic acid
CAS Number:
1181590-67-9
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
MDL Number:
MFCD11937417
IUPAC Name:
3-[acetyl(benzyl)amino]propanoic acid
InChI:
InChI=1S/C12H15NO3/c1-10(14)13(8-7-12(15)16)9-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3,(H,15,16)
InChI Key:
IHCHOLAAQUZREU-UHFFFAOYSA-N
SMILES:
CC(=O)N(Cc1ccccc1)CCC(=O)O
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.105g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
221.256g/mol
Monoisotopic Mass:
221.105g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties