CID 49276415
PubChem CID
49276415
Structure
Molecular Formula
Status
Non-live
Molecular Weight
229.32 g/mol
Dates
- Create:2010-11-26
Chemical Structure Depiction
ethyl 3-[cyclopropylmethyl(3-hydroxypropyl)amino]propanoate
InChI=1S/C12H23NO3/c1-2-16-12(15)6-8-13(7-3-9-14)10-11-4-5-11/h11,14H,2-10H2,1H3
RJXZYFGNFXWLOF-UHFFFAOYSA-N
CCOC(=O)CCN(CCCO)CC1CC1
C12H23NO3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
229.32 g/mol
Property Name
XLogP3-AA
Property Value
0.9
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
10
Property Name
Exact Mass
Property Value
229.16779360 g/mol
Property Name
Monoisotopic Mass
Property Value
229.16779360 g/mol
Property Name
Topological Polar Surface Area
Property Value
49.8 A^2
Property Name
Heavy Atom Count
Property Value
16
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
204
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