Home Other Building Blocks 3-methyl-2-(phenylformamido)pentanoic acid

3-methyl-2-(phenylformamido)pentanoic acid

CAS No.:
4427-08-1
Catalog Number:
AG019HQ4
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
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Product Description
Catalog Number:
AG019HQ4
Chemical Name:
3-methyl-2-(phenylformamido)pentanoic acid
CAS Number:
4427-08-1
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
MDL Number:
MFCD03964627
IUPAC Name:
2-benzamido-3-methylpentanoic acid
InChI:
InChI=1S/C13H17NO3/c1-3-9(2)11(13(16)17)14-12(15)10-7-5-4-6-8-10/h4-9,11H,3H2,1-2H3,(H,14,15)(H,16,17)
InChI Key:
KCQBCDKSKWGCEK-UHFFFAOYSA-N
SMILES:
CCC(C(C(=O)O)NC(=O)c1ccccc1)C
NSC Number:
334207
Properties
Complexity:
272  
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:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties