CID 45339735
PubChem CID
45339735
Structure
Molecular Formula
Status
Non-live
Molecular Weight
394.5 g/mol
Dates
- Create:2010-05-13
Chemical Structure Depiction
(2S)-2-[[1-(2-methylbenzoyl)piperidine-4-carbonyl]amino]-3-phenylpropanoic acid
InChI=1S/C23H26N2O4/c1-16-7-5-6-10-19(16)22(27)25-13-11-18(12-14-25)21(26)24-20(23(28)29)15-17-8-3-2-4-9-17/h2-10,18,20H,11-15H2,1H3,(H,24,26)(H,28,29)/t20-/m0/s1
FYQRAKDNCXIZTE-FQEVSTJZSA-N
CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O
C23H26N2O4
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
394.5 g/mol
Property Name
XLogP3-AA
Property Value
3.1
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
6
Property Name
Exact Mass
Property Value
394.18925731 g/mol
Property Name
Monoisotopic Mass
Property Value
394.18925731 g/mol
Property Name
Topological Polar Surface Area
Property Value
86.7 A^2
Property Name
Heavy Atom Count
Property Value
29
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
579
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
Old substance
CONTENTS