CID 25240454
PubChem CID
25240454
Structure
Molecular Formula
Status
Non-live
Molecular Weight
116.14 g/mol
Dates
- Create:2009-05-07
Chemical Structure Depiction
(2S)-3-deuteriopyrrolidine-2-carboxylic acid
InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1/i2D/t2?,4-
ONIBWKKTOPOVIA-KRGXXEMVSA-N
[2H]C1CCN[C@@H]1C(=O)O
C5H9NO2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
116.14 g/mol
Property Name
XLogP3
Property Value
-2.5
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
1
Property Name
Exact Mass
Property Value
116.069605276 g/mol
Property Name
Monoisotopic Mass
Property Value
116.069605276 g/mol
Property Name
Topological Polar Surface Area
Property Value
49.3 A^2
Property Name
Heavy Atom Count
Property Value
8
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
103
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
1
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
CONTENTS