CID 68507280
PubChem CID
68507280
Structure
Molecular Formula
Status
Non-live
Molecular Weight
469.5 g/mol
Dates
- Create:2012-11-30
Chemical Structure Depiction
2-aminoacetic acid;(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid
InChI=1S/2C5H9NO2.C3H7NO2.2C2H5NO2/c2*7-5(8)4-2-1-3-6-4;1-2(4)3(5)6;2*3-1-2(4)5/h2*4,6H,1-3H2,(H,7,8);2H,4H2,1H3,(H,5,6);2*1,3H2,(H,4,5)/t2*4-;2-;;/m000../s1
ABWROUTVIJNVKA-XGCRREJOSA-N
C[C@@H](C(=O)O)N.C1C[C@H](NC1)C(=O)O.C1C[C@H](NC1)C(=O)O.C(C(=O)O)N.C(C(=O)O)N
C17H35N5O10
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
469.5 g/mol
Property Name
Hydrogen Bond Donor Count
Property Value
10
Property Name
Hydrogen Bond Acceptor Count
Property Value
15
Property Name
Rotatable Bond Count
Property Value
5
Property Name
Exact Mass
Property Value
469.23839233 g/mol
Property Name
Monoisotopic Mass
Property Value
469.23839233 g/mol
Property Name
Topological Polar Surface Area
Property Value
289 A^2
Property Name
Heavy Atom Count
Property Value
32
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
207
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
3
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
5
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
CONTENTS