CID 25241526
PubChem CID
25241526
Structure
Molecular Formula
Status
Non-live
Molecular Weight
287.35 g/mol
Dates
- Create:2009-05-08
Chemical Structure Depiction
ditert-butyl (2S)-3,4-dideuterio-5-oxopyrrolidine-1,2-dicarboxylate
InChI=1S/C14H23NO5/c1-13(2,3)19-11(17)9-7-8-10(16)15(9)12(18)20-14(4,5)6/h9H,7-8H2,1-6H3/t9-/m0/s1/i7D,8D/t7?,8?,9-
INVKHBRFFCQICU-BYLHXIMBSA-N
[2H]C1[C@H](N(C(=O)C1[2H])C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
C14H23NO5
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
287.35 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
5
Property Name
Rotatable Bond Count
Property Value
5
Property Name
Exact Mass
Property Value
287.17017633 g/mol
Property Name
Monoisotopic Mass
Property Value
287.17017633 g/mol
Property Name
Topological Polar Surface Area
Property Value
72.9 A^2
Property Name
Heavy Atom Count
Property Value
20
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
416
Property Name
Isotope Atom Count
Property Value
2
Property Name
Defined Atom Stereocenter Count
Property Value
1
Property Name
Undefined Atom Stereocenter Count
Property Value
2
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