CID 51401111
PubChem CID
51401111
Structure
Molecular Formula
Status
Non-live
Molecular Weight
199.25 g/mol
Dates
- Create:2011-05-20
Chemical Structure Depiction
ethyl (2R,4S)-5-oxo-4-propan-2-ylpyrrolidine-2-carboxylate
InChI=1S/C10H17NO3/c1-4-14-10(13)8-5-7(6(2)3)9(12)11-8/h6-8H,4-5H2,1-3H3,(H,11,12)/t7-,8+/m0/s1
QKWOBDAUJPYMLT-JGVFFNPUSA-N
CCOC(=O)[C@H]1C[C@H](C(=O)N1)C(C)C
C10H17NO3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
199.25 g/mol
Property Name
XLogP3-AA
Property Value
1.3
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
199.12084340 g/mol
Property Name
Monoisotopic Mass
Property Value
199.12084340 g/mol
Property Name
Topological Polar Surface Area
Property Value
55.4 A^2
Property Name
Heavy Atom Count
Property Value
14
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
238
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
2
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