CID 39164126
PubChem CID
39164126
Structure
Molecular Formula
Status
Non-live
Molecular Weight
328.3 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
3-[[(2S)-2-(3-methoxyphenoxy)propanoyl]amino]-4-methylbenzoate
InChI=1S/C18H19NO5/c1-11-7-8-13(18(21)22)9-16(11)19-17(20)12(2)24-15-6-4-5-14(10-15)23-3/h4-10,12H,1-3H3,(H,19,20)(H,21,22)/p-1/t12-/m0/s1
GBTBVRKOZQGMGU-LBPRGKRZSA-M
CC1=C(C=C(C=C1)C(=O)[O-])NC(=O)[C@H](C)OC2=CC=CC(=C2)OC
C18H18NO5-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
328.3 g/mol
Property Name
XLogP3-AA
Property Value
3.7
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Property Name
Rotatable Bond Count
Property Value
5
Property Name
Exact Mass
Property Value
328.11849767 g/mol
Property Name
Monoisotopic Mass
Property Value
328.11849767 g/mol
Property Name
Topological Polar Surface Area
Property Value
87.7 A^2
Property Name
Heavy Atom Count
Property Value
24
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
436
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