Home Other Building Blocks 2-[benzyl(methyl)carbamoyl]-2,2-dimethylacetic acid

2-[benzyl(methyl)carbamoyl]-2,2-dimethylacetic acid

CAS No.:
1502184-75-9
Catalog Number:
AG01DVF6
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
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Product Description
Catalog Number:
AG01DVF6
Chemical Name:
2-[benzyl(methyl)carbamoyl]-2,2-dimethylacetic acid
CAS Number:
1502184-75-9
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
MDL Number:
MFCD26188726
IUPAC Name:
3-[benzyl(methyl)amino]-2,2-dimethyl-3-oxopropanoic acid
InChI:
InChI=1S/C13H17NO3/c1-13(2,12(16)17)11(15)14(3)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,16,17)
InChI Key:
ADKLTTYQRVQVLC-UHFFFAOYSA-N
SMILES:
CN(C(=O)C(C(=O)O)(C)C)Cc1ccccc1
Properties
Complexity:
293  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
235.283g/mol
Monoisotopic Mass:
235.121g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties