CID 44747129
PubChem CID
44747129
Structure
Molecular Formula
Status
Non-live
Molecular Weight
367.5 g/mol
Dates
- Create:2010-03-14
Chemical Structure Depiction
5-[(2-pentanoyl-2,8-diazaspiro[4.5]decane-4-carbonyl)amino]pentanoic acid
InChI=1S/C19H33N3O4/c1-2-3-6-16(23)22-13-15(19(14-22)8-11-20-12-9-19)18(26)21-10-5-4-7-17(24)25/h15,20H,2-14H2,1H3,(H,21,26)(H,24,25)
FSVLDBRFQUDQSE-UHFFFAOYSA-N
CCCCC(=O)N1CC(C2(C1)CCNCC2)C(=O)NCCCCC(=O)O
C19H33N3O4
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
367.5 g/mol
Property Name
XLogP3-AA
Property Value
-1.7
Property Name
Hydrogen Bond Donor Count
Property Value
3
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Property Name
Rotatable Bond Count
Property Value
9
Property Name
Exact Mass
Property Value
367.24710654 g/mol
Property Name
Monoisotopic Mass
Property Value
367.24710654 g/mol
Property Name
Topological Polar Surface Area
Property Value
98.7 A^2
Property Name
Heavy Atom Count
Property Value
26
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
503
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
1
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