CID 22644427
PubChem CID
22644427
Structure
Molecular Formula
Status
Non-live
Molecular Weight
408.45 g/mol
Dates
- Create:2007-12-05
Chemical Structure Depiction
2-(methylamino)acetic acid;pyrrolidine-2-carboxylic acid
InChI=1S/2C5H9NO2.2C3H7NO2/c2*7-5(8)4-2-1-3-6-4;2*1-4-2-3(5)6/h2*4,6H,1-3H2,(H,7,8);2*4H,2H2,1H3,(H,5,6)
RYYIPQZHRXYINZ-UHFFFAOYSA-N
CNCC(=O)O.CNCC(=O)O.C1CC(NC1)C(=O)O.C1CC(NC1)C(=O)O
C16H32N4O8
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
408.45 g/mol
Property Name
Hydrogen Bond Donor Count
Property Value
8
Property Name
Hydrogen Bond Acceptor Count
Property Value
12
Property Name
Rotatable Bond Count
Property Value
6
Property Name
Exact Mass
Property Value
408.22201399 g/mol
Property Name
Monoisotopic Mass
Property Value
408.22201399 g/mol
Property Name
Topological Polar Surface Area
Property Value
197 A^2
Property Name
Heavy Atom Count
Property Value
28
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
155
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
2
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
4
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
Old substance
CONTENTS