CID 21308669
PubChem CID
21308669
Structure
Molecular Formula
Status
Non-live
Molecular Weight
205.26 g/mol
Dates
- Create:2007-12-05
Chemical Structure Depiction
(2S)-2-amino-3-methylbutanoic acid;(2S)-2-aminopropanamide
InChI=1S/C5H11NO2.C3H8N2O/c1-3(2)4(6)5(7)8;1-2(4)3(5)6/h3-4H,6H2,1-2H3,(H,7,8);2H,4H2,1H3,(H2,5,6)/t4-;2-/m00/s1
ARZHTVSXQORJJP-ZBRNBAAYSA-N
C[C@@H](C(=O)N)N.CC(C)[C@@H](C(=O)O)N
C8H19N3O3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
205.26 g/mol
Property Name
Hydrogen Bond Donor Count
Property Value
4
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
205.14264148 g/mol
Property Name
Monoisotopic Mass
Property Value
205.14264148 g/mol
Property Name
Topological Polar Surface Area
Property Value
132 A^2
Property Name
Heavy Atom Count
Property Value
14
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
152
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
2
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
2
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
CONTENTS