CID 28208692
PubChem CID
28208692
Structure
Molecular Formula
Status
Non-live
Molecular Weight
252.33 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
7-[[(1S)-cyclohex-3-ene-1-carbonyl]amino]heptanoate
InChI=1S/C14H23NO3/c16-13(17)10-6-1-2-7-11-15-14(18)12-8-4-3-5-9-12/h3-4,12H,1-2,5-11H2,(H,15,18)(H,16,17)/p-1/t12-/m1/s1
YATSLJDAGVBBPT-GFCCVEGCSA-M
C1C[C@@H](CC=C1)C(=O)NCCCCCCC(=O)[O-]
C14H22NO3-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
252.33 g/mol
Property Name
XLogP3-AA
Property Value
2.8
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
7
Property Name
Exact Mass
Property Value
252.15996856 g/mol
Property Name
Monoisotopic Mass
Property Value
252.15996856 g/mol
Property Name
Topological Polar Surface Area
Property Value
69.2 A^2
Property Name
Heavy Atom Count
Property Value
18
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
294
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
1
Property Name
Undefined Atom Stereocenter Count
Property Value
0
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