CID 44747130
PubChem CID
44747130
Structure
Molecular Formula
Status
Non-live
Molecular Weight
381.5 g/mol
Dates
- Create:2010-03-14
Chemical Structure Depiction
5-[[2-(2-methylpentanoyl)-2,8-diazaspiro[4.5]decane-4-carbonyl]amino]pentanoic acid
InChI=1S/C20H35N3O4/c1-3-6-15(2)19(27)23-13-16(20(14-23)8-11-21-12-9-20)18(26)22-10-5-4-7-17(24)25/h15-16,21H,3-14H2,1-2H3,(H,22,26)(H,24,25)
VUNFHPJNPBWOMM-UHFFFAOYSA-N
CCCC(C)C(=O)N1CC(C2(C1)CCNCC2)C(=O)NCCCCC(=O)O
C20H35N3O4
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
381.5 g/mol
Property Name
XLogP3-AA
Property Value
-1.2
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
381.26275661 g/mol
Property Name
Monoisotopic Mass
Property Value
381.26275661 g/mol
Property Name
Topological Polar Surface Area
Property Value
98.7 A^2
Property Name
Heavy Atom Count
Property Value
27
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
531
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