CID 44747128
PubChem CID
44747128
Structure
Molecular Formula
Status
Non-live
Molecular Weight
353.5 g/mol
Dates
- Create:2010-03-14
Chemical Structure Depiction
5-[[2-(2-methylpropanoyl)-2,8-diazaspiro[4.5]decane-4-carbonyl]amino]pentanoic acid
InChI=1S/C18H31N3O4/c1-13(2)17(25)21-11-14(18(12-21)6-9-19-10-7-18)16(24)20-8-4-3-5-15(22)23/h13-14,19H,3-12H2,1-2H3,(H,20,24)(H,22,23)
ZULXWCXSOJRUSK-UHFFFAOYSA-N
CC(C)C(=O)N1CC(C2(C1)CCNCC2)C(=O)NCCCCC(=O)O
C18H31N3O4
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
353.5 g/mol
Property Name
XLogP3-AA
Property Value
-2.1
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
7
Property Name
Exact Mass
Property Value
353.23145648 g/mol
Property Name
Monoisotopic Mass
Property Value
353.23145648 g/mol
Property Name
Topological Polar Surface Area
Property Value
98.7 A^2
Property Name
Heavy Atom Count
Property Value
25
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
501
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