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CID 28842394

PubChem CID
28842394
Structure
CID 28842394_small.png
Molecular Formula
Status
Non-live
Molecular Weight
232.34 g/mol
Dates
  • Create:
    2009-05-28

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 28842394.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-[[(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]propyl-dimethylazanium

2.1.2 InChI

InChI=1S/C11H25N3O2/c1-10(11(15)13-7-9-16-4)12-6-5-8-14(2)3/h10,12H,5-9H2,1-4H3,(H,13,15)/p+1/t10-/m1/s1

2.1.3 InChIKey

WRZQGLYXZOJBBP-SNVBAGLBSA-O

2.1.4 SMILES

C[C@H](C(=O)NCCOC)NCCC[NH+](C)C

2.2 Molecular Formula

C11H26N3O2+

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
232.34 g/mol
Property Name
XLogP3-AA
Property Value
-0.2
Property Name
Hydrogen Bond Donor Count
Property Value
3
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
9
Property Name
Exact Mass
Property Value
232.20250208 g/mol
Property Name
Monoisotopic Mass
Property Value
232.20250208 g/mol
Property Name
Topological Polar Surface Area
Property Value
54.8 A^2
Property Name
Heavy Atom Count
Property Value
16
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
186
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
1
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
1
Property Name
Compound Is Canonicalized
Property Value
Yes

5 Information Sources

CONTENTS