CID 44747159
PubChem CID
44747159
Structure
Molecular Formula
Status
Non-live
Molecular Weight
367.5 g/mol
Dates
- Create:2010-03-14
Chemical Structure Depiction
5-[[2-(2-methylbutanoyl)-2,8-diazaspiro[4.5]decane-4-carbonyl]amino]pentanoic acid
InChI=1S/C19H33N3O4/c1-3-14(2)18(26)22-12-15(19(13-22)7-10-20-11-8-19)17(25)21-9-5-4-6-16(23)24/h14-15,20H,3-13H2,1-2H3,(H,21,25)(H,23,24)
KJJILJQWUFPGGN-UHFFFAOYSA-N
CCC(C)C(=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
8
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
517
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
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