CID 20648675
PubChem CID
20648675
Structure
Molecular Formula
Status
Non-live
Molecular Weight
114.12 g/mol
Dates
- Create:2007-12-05
Chemical Structure Depiction
pyrrolidin-1-ide-2-carboxylic acid
InChI=1S/C5H8NO2/c7-5(8)4-2-1-3-6-4/h4H,1-3H2,(H,7,8)/q-1
KXSBFFYFPAIBOM-UHFFFAOYSA-N
C1CC([N-]C1)C(=O)O
C5H8NO2-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
114.12 g/mol
Property Name
XLogP3
Property Value
-2.5
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
1
Property Name
Exact Mass
Property Value
114.055503498 g/mol
Property Name
Monoisotopic Mass
Property Value
114.055503498 g/mol
Property Name
Topological Polar Surface Area
Property Value
38.3 A^2
Property Name
Heavy Atom Count
Property Value
8
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
103
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
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