CID 49276258
PubChem CID
49276258
Structure
Molecular Formula
Status
Non-live
Molecular Weight
217.31 g/mol
Dates
- Create:2010-11-26
Chemical Structure Depiction
methyl 3-[3-hydroxypropyl(2-methylpropyl)amino]propanoate
InChI=1S/C11H23NO3/c1-10(2)9-12(6-4-8-13)7-5-11(14)15-3/h10,13H,4-9H2,1-3H3
OBGPSQITGGASRZ-UHFFFAOYSA-N
CC(C)CN(CCCO)CCC(=O)OC
C11H23NO3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
217.31 g/mol
Property Name
XLogP3-AA
Property Value
1.1
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
9
Property Name
Exact Mass
Property Value
217.16779360 g/mol
Property Name
Monoisotopic Mass
Property Value
217.16779360 g/mol
Property Name
Topological Polar Surface Area
Property Value
49.8 A^2
Property Name
Heavy Atom Count
Property Value
15
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
171
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