CID 42313991
PubChem CID
42313991
Structure
Molecular Formula
Status
Non-live
Molecular Weight
277.41 g/mol
Dates
- Create:2009-05-30
Chemical Structure Depiction
[(2S,3R)-1-[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]-3-methyl-1-oxopentan-2-yl]azanium
InChI=1S/C12H24N2O3S/c1-4-9(3)11(13)12(15)14(5-2)10-6-7-18(16,17)8-10/h9-11H,4-8,13H2,1-3H3/p+1/t9-,10-,11+/m1/s1
BWSCIKZPWOMRKO-MXWKQRLJSA-O
CC[C@@H](C)[C@@H](C(=O)N(CC)[C@@H]1CCS(=O)(=O)C1)[NH3+]
C12H25N2O3S+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
277.41 g/mol
Property Name
XLogP3-AA
Property Value
0.5
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
5
Property Name
Exact Mass
Property Value
277.15858884 g/mol
Property Name
Monoisotopic Mass
Property Value
277.15858884 g/mol
Property Name
Topological Polar Surface Area
Property Value
90.5 A^2
Property Name
Heavy Atom Count
Property Value
18
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
389
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
3
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