CID 30061294
PubChem CID
30061294
Structure
Molecular Formula
Status
Non-live
Molecular Weight
278.37 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
[2-[[(2S)-2-[(2S)-2-methylmorpholin-4-yl]propanoyl]amino]phenyl]methylazanium
InChI=1S/C15H23N3O2/c1-11-10-18(7-8-20-11)12(2)15(19)17-14-6-4-3-5-13(14)9-16/h3-6,11-12H,7-10,16H2,1-2H3,(H,17,19)/p+1/t11-,12-/m0/s1
UOEYCGHGCFPQON-RYUDHWBXSA-O
C[C@H]1CN(CCO1)[C@@H](C)C(=O)NC2=CC=CC=C2C[NH3+]
C15H24N3O2+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
278.37 g/mol
Property Name
XLogP3-AA
Property Value
1
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
278.18685202 g/mol
Property Name
Monoisotopic Mass
Property Value
278.18685202 g/mol
Property Name
Topological Polar Surface Area
Property Value
69.2 A^2
Property Name
Heavy Atom Count
Property Value
20
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
324
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