Home Other Building Blocks 2-(3-methylbutanamido)-2-phenylacetic acid

2-(3-methylbutanamido)-2-phenylacetic acid

CAS No.:
60050-52-4
Catalog Number:
AG01A9XM
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
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Product Description
Catalog Number:
AG01A9XM
Chemical Name:
2-(3-methylbutanamido)-2-phenylacetic acid
CAS Number:
60050-52-4
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
MDL Number:
MFCD09044592
IUPAC Name:
2-(3-methylbutanoylamino)-2-phenylacetic acid
InChI:
InChI=1S/C13H17NO3/c1-9(2)8-11(15)14-12(13(16)17)10-6-4-3-5-7-10/h3-7,9,12H,8H2,1-2H3,(H,14,15)(H,16,17)
InChI Key:
OZVJYCHWMRGCDU-UHFFFAOYSA-N
SMILES:
CC(CC(=O)NC(c1ccccc1)C(=O)O)C
Properties
Complexity:
270  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.121g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
235.283g/mol
Monoisotopic Mass:
235.121g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties