CID 44747239
PubChem CID
44747239
Structure
Molecular Formula
Status
Non-live
Molecular Weight
369.5 g/mol
Dates
- Create:2010-03-14
Chemical Structure Depiction
5-[[2-(3-methoxypropanoyl)-2,8-diazaspiro[4.5]decane-4-carbonyl]amino]pentanoic acid
InChI=1S/C18H31N3O5/c1-26-11-5-15(22)21-12-14(18(13-21)6-9-19-10-7-18)17(25)20-8-3-2-4-16(23)24/h14,19H,2-13H2,1H3,(H,20,25)(H,23,24)
YHLQVPAMIRNEKO-UHFFFAOYSA-N
COCCC(=O)N1CC(C2(C1)CCNCC2)C(=O)NCCCCC(=O)O
C18H31N3O5
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
369.5 g/mol
Property Name
XLogP3-AA
Property Value
-3.3
Property Name
Hydrogen Bond Donor Count
Property Value
3
Property Name
Hydrogen Bond Acceptor Count
Property Value
6
Property Name
Rotatable Bond Count
Property Value
9
Property Name
Exact Mass
Property Value
369.22637110 g/mol
Property Name
Monoisotopic Mass
Property Value
369.22637110 g/mol
Property Name
Topological Polar Surface Area
Property Value
108 A^2
Property Name
Heavy Atom Count
Property Value
26
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
505
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