CID 42329993
PubChem CID
42329993
Structure
Molecular Formula
Status
Non-live
Molecular Weight
237.25 g/mol
Dates
- Create:2009-05-30
Chemical Structure Depiction
(2R)-2-(azaniumylmethyl)-3-(1,3-benzodioxol-5-yl)-2-methylpropanoate
InChI=1S/C12H15NO4/c1-12(6-13,11(14)15)5-8-2-3-9-10(4-8)17-7-16-9/h2-4H,5-7,13H2,1H3,(H,14,15)/t12-/m1/s1
VIOVMGXRMVSZHI-GFCCVEGCSA-N
C[C@@](CC1=CC2=C(C=C1)OCO2)(C[NH3+])C(=O)[O-]
C12H15NO4
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
237.25 g/mol
Property Name
XLogP3
Property Value
-0.5
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
3
Property Name
Exact Mass
Property Value
237.10010796 g/mol
Property Name
Monoisotopic Mass
Property Value
237.10010796 g/mol
Property Name
Topological Polar Surface Area
Property Value
86.2 A^2
Property Name
Heavy Atom Count
Property Value
17
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
291
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