Home Carboxys 3-Aminopentane-3-carboxylic acid

3-Aminopentane-3-carboxylic acid

CAS No.:
2566-29-2
Catalog Number:
AG00BDGU
Molecular Formula:
C6H13NO2
Molecular Weight:
131.1729
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$63
- +
5g
98%
In Stock USA
United States
$194
- +
25g
98%
In Stock USA
United States
$950
- +
Product Description
Catalog Number:
AG00BDGU
Chemical Name:
3-Aminopentane-3-carboxylic acid
CAS Number:
2566-29-2
Molecular Formula:
C6H13NO2
Molecular Weight:
131.1729
MDL Number:
MFCD01737173
IUPAC Name:
2-amino-2-ethylbutanoic acid
InChI:
InChI=1S/C6H13NO2/c1-3-6(7,4-2)5(8)9/h3-4,7H2,1-2H3,(H,8,9)
InChI Key:
KWOMLHIFHFWBSB-UHFFFAOYSA-N
SMILES:
CCC(C(=O)O)(CC)N
NSC Number:
23275
Properties
Complexity:
108  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
131.095g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
131.175g/mol
Monoisotopic Mass:
131.095g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.8  
Literature
Title Journal
Correlation between symmetry breaker position and the preferences of conformationally constrained homopeptides: a molecular dynamics investigation. Biopolymers 20080101
Properties