An official website of the United States government

CID 21185821

PubChem CID
21185821
Structure
CID 21185821_small.png
Molecular Formula
Status
Non-live
Molecular Weight
210.10 g/mol
Dates
  • Create:
    2007-12-05

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 21185821.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

pyrrolidine-2-carboxylic acid;phosphate

2.1.2 InChI

InChI=1S/C5H9NO2.H3O4P/c7-5(8)4-2-1-3-6-4;1-5(2,3)4/h4,6H,1-3H2,(H,7,8);(H3,1,2,3,4)/p-3

2.1.3 InChIKey

NOFRKKIRSYFOAL-UHFFFAOYSA-K

2.1.4 SMILES

C1CC(NC1)C(=O)O.[O-]P(=O)([O-])[O-]

2.2 Molecular Formula

C5H9NO6P-3

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
210.10 g/mol
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
7
Property Name
Rotatable Bond Count
Property Value
1
Property Name
Exact Mass
Property Value
210.01674900 g/mol
Property Name
Monoisotopic Mass
Property Value
210.01674900 g/mol
Property Name
Topological Polar Surface Area
Property Value
136 A^2
Property Name
Heavy Atom Count
Property Value
13
Property Name
Formal Charge
Property Value
-3
Property Name
Complexity
Property Value
139
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
2
Property Name
Compound Is Canonicalized
Property Value
Yes

5 Information Sources

CONTENTS