CID 42127378
PubChem CID
42127378
Structure
Molecular Formula
Status
Non-live
Molecular Weight
232.25 g/mol
Dates
- Create:2009-05-30
Chemical Structure Depiction
(2S)-1-[(2-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxylate
InChI=1S/C13H15NO3/c1-9-4-2-3-5-10(9)8-14-11(13(16)17)6-7-12(14)15/h2-5,11H,6-8H2,1H3,(H,16,17)/p-1/t11-/m0/s1
HZRAGZHDHXBVFL-NSHDSACASA-M
CC1=CC=CC=C1CN2[C@@H](CCC2=O)C(=O)[O-]
C13H14NO3-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
232.25 g/mol
Property Name
XLogP3-AA
Property Value
1.9
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
2
Property Name
Exact Mass
Property Value
232.09736831 g/mol
Property Name
Monoisotopic Mass
Property Value
232.09736831 g/mol
Property Name
Topological Polar Surface Area
Property Value
60.4 A^2
Property Name
Heavy Atom Count
Property Value
17
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
310
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