CID 39193623
PubChem CID
39193623
Structure
Molecular Formula
Status
Non-live
Molecular Weight
250.32 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
[4-(2-acetamido-5-methylanilino)-4-oxobutyl]azanium
InChI=1S/C13H19N3O2/c1-9-5-6-11(15-10(2)17)12(8-9)16-13(18)4-3-7-14/h5-6,8H,3-4,7,14H2,1-2H3,(H,15,17)(H,16,18)/p+1
ZPPGMQQSARHNNZ-UHFFFAOYSA-O
CC1=CC(=C(C=C1)NC(=O)C)NC(=O)CCC[NH3+]
C13H20N3O2+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
250.32 g/mol
Property Name
XLogP3
Property Value
0.3
Property Name
Hydrogen Bond Donor Count
Property Value
3
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
5
Property Name
Exact Mass
Property Value
250.15555189 g/mol
Property Name
Monoisotopic Mass
Property Value
250.15555189 g/mol
Property Name
Topological Polar Surface Area
Property Value
85.8 A^2
Property Name
Heavy Atom Count
Property Value
18
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
294
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
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
Old substance
CONTENTS