Home Aminos (3R)-4-amino-3-methylbutanoic acid, trifluoroacetic acid

(3R)-4-amino-3-methylbutanoic acid, trifluoroacetic acid

CAS No.:
2059910-51-7
Catalog Number:
AG01C0JR
Molecular Formula:
C7H12F3NO4
Molecular Weight:
231.1697
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Product Description
Catalog Number:
AG01C0JR
Chemical Name:
(3R)-4-amino-3-methylbutanoic acid, trifluoroacetic acid
CAS Number:
2059910-51-7
Molecular Formula:
C7H12F3NO4
Molecular Weight:
231.1697
MDL Number:
MFCD30498030
IUPAC Name:
(3R)-4-amino-3-methylbutanoic acid;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C5H11NO2.C2HF3O2/c1-4(3-6)2-5(7)8;3-2(4,5)1(6)7/h4H,2-3,6H2,1H3,(H,7,8);(H,6,7)/t4-;/m1./s1
InChI Key:
NHBCIYJPOZSTFJ-PGMHMLKASA-N
SMILES:
OC(=O)C(F)(F)F.NC[C@@H](CC(=O)O)C
Properties
Complexity:
166  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
231.072g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
231.171g/mol
Monoisotopic Mass:
231.072g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties