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Home Other Building Blocks 2-(3-phenylpropanamido)benzoic acid

2-(3-phenylpropanamido)benzoic acid

CAS No.:
142005-11-6
Catalog Number:
AG00IZQE
Molecular Formula:
C16H15NO3
Molecular Weight:
269.2952
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Product Description
Catalog Number:
AG00IZQE
Chemical Name:
2-(3-phenylpropanamido)benzoic acid
CAS Number:
142005-11-6
Molecular Formula:
C16H15NO3
Molecular Weight:
269.2952
MDL Number:
MFCD00423282
IUPAC Name:
2-(3-phenylpropanoylamino)benzoic acid
InChI:
InChI=1S/C16H15NO3/c18-15(11-10-12-6-2-1-3-7-12)17-14-9-5-4-8-13(14)16(19)20/h1-9H,10-11H2,(H,17,18)(H,19,20)
InChI Key:
MNOIKDHVQKNPMT-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccccc1C(=O)O)CCc1ccccc1
Properties
Complexity:
337  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.105g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
269.3g/mol
Monoisotopic Mass:
269.105g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Literature
Title Journal
Molecular modeling aided design of nicotinic acid receptor GPR109A agonists. Bioorganic & medicinal chemistry letters 20080915
Properties