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Home Aminos 4-(Benzylamino)-4-oxobutanoic acid

4-(Benzylamino)-4-oxobutanoic acid

CAS No.:
64984-60-7
Catalog Number:
AG00EE3O
Molecular Formula:
C11H13NO3
Molecular Weight:
207.2258
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$75
- +
1g
98%
In Stock USA
United States
$157
- +
5g
98%
In Stock USA
United States
$544
- +
25g
98%
In Stock USA
United States
$1369
- +
Product Description
Catalog Number:
AG00EE3O
Chemical Name:
4-(Benzylamino)-4-oxobutanoic acid
CAS Number:
64984-60-7
Molecular Formula:
C11H13NO3
Molecular Weight:
207.2258
MDL Number:
MFCD00449649
IUPAC Name:
4-(benzylamino)-4-oxobutanoic acid
InChI:
InChI=1S/C11H13NO3/c13-10(6-7-11(14)15)12-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13)(H,14,15)
InChI Key:
GFVMZKFJMYHDNM-UHFFFAOYSA-N
SMILES:
O=C(CCC(=O)O)NCc1ccccc1
Properties
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.09g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
207.229g/mol
Monoisotopic Mass:
207.09g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Rational design of an indolebutanoic acid derivative as a novel aldose reductase inhibitor based on docking and 3D QSAR studies of phenethylamine derivatives. Journal of medicinal chemistry 20031218
Properties