CID 51603041
PubChem CID
51603041
Structure
Molecular Formula
Status
Non-live
Molecular Weight
200.30 g/mol
Dates
- Create:2011-05-20
Chemical Structure Depiction
N-[(2S)-butan-2-yl]-2-piperazin-4-ium-1-ylacetamide
InChI=1S/C10H21N3O/c1-3-9(2)12-10(14)8-13-6-4-11-5-7-13/h9,11H,3-8H2,1-2H3,(H,12,14)/p+1/t9-/m0/s1
LBYYAPDSZMMRDD-VIFPVBQESA-O
CC[C@H](C)NC(=O)CN1CC[NH2+]CC1
C10H22N3O+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
200.30 g/mol
Property Name
XLogP3-AA
Property Value
0.3
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
200.176287334 g/mol
Property Name
Monoisotopic Mass
Property Value
200.176287334 g/mol
Property Name
Topological Polar Surface Area
Property Value
49 A^2
Property Name
Heavy Atom Count
Property Value
14
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
178
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
Old substance
CONTENTS