Home Other Building Blocks 3-methyl-2-(pyridin-2-ylformamido)butanoic acid

3-methyl-2-(pyridin-2-ylformamido)butanoic acid

CAS No.:
1160854-50-1
Catalog Number:
AG01A9WL
Molecular Formula:
C11H14N2O3
Molecular Weight:
222.2405
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Product Description
Catalog Number:
AG01A9WL
Chemical Name:
3-methyl-2-(pyridin-2-ylformamido)butanoic acid
CAS Number:
1160854-50-1
Molecular Formula:
C11H14N2O3
Molecular Weight:
222.2405
MDL Number:
MFCD08444937
IUPAC Name:
3-methyl-2-(pyridine-2-carbonylamino)butanoic acid
InChI:
InChI=1S/C11H14N2O3/c1-7(2)9(11(15)16)13-10(14)8-5-3-4-6-12-8/h3-7,9H,1-2H3,(H,13,14)(H,15,16)
InChI Key:
TZRRISNEOUTNSA-UHFFFAOYSA-N
SMILES:
CC(C(C(=O)O)NC(=O)c1ccccn1)C
Properties
Complexity:
266  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.1g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
222.244g/mol
Monoisotopic Mass:
222.1g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
79.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties