Home Other Building Blocks 2-(3,3-dimethylbutanamido)propanoic acid

2-(3,3-dimethylbutanamido)propanoic acid

CAS No.:
1104580-85-9
Catalog Number:
AG01E9K9
Molecular Formula:
C9H17NO3
Molecular Weight:
187.2362
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Product Description
Catalog Number:
AG01E9K9
Chemical Name:
2-(3,3-dimethylbutanamido)propanoic acid
CAS Number:
1104580-85-9
Molecular Formula:
C9H17NO3
Molecular Weight:
187.2362
MDL Number:
MFCD09739548
IUPAC Name:
2-(3,3-dimethylbutanoylamino)propanoic acid
InChI:
InChI=1S/C9H17NO3/c1-6(8(12)13)10-7(11)5-9(2,3)4/h6H,5H2,1-4H3,(H,10,11)(H,12,13)
InChI Key:
VTWGNAOOGHTLEK-UHFFFAOYSA-N
SMILES:
CC(C(=O)O)NC(=O)CC(C)(C)C
Properties
Complexity:
205  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.121g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
187.239g/mol
Monoisotopic Mass:
187.121g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties