CID 54022220
PubChem CID
54022220
Structure
Molecular Formula
Status
Non-live
Molecular Weight
119.15 g/mol
Dates
- Create:2011-12-04
Chemical Structure Depiction
(2S)-3-methyl-2-(tritioamino)butanoic acid
InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1/i/hT
KZSNJWFQEVHDMF-FVSUZMELSA-N
[3H]N[C@@H](C(C)C)C(=O)O
C5H11NO2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
119.15 g/mol
Property Name
XLogP3
Property Value
-2.3
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
2
Property Name
Exact Mass
Property Value
119.087202843 g/mol
Property Name
Monoisotopic Mass
Property Value
119.087202843 g/mol
Property Name
Topological Polar Surface Area
Property Value
63.3 A^2
Property Name
Heavy Atom Count
Property Value
8
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
90.4
Property Name
Isotope Atom Count
Property Value
1
Property Name
Defined Atom Stereocenter Count
Property Value
1
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
Old substance
Old substance
CONTENTS