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CID 30055706

PubChem CID
30055706
Structure
CID 30055706_small.png
Molecular Formula
Status
Non-live
Molecular Weight
277.36 g/mol
Dates
  • Create:
    2009-05-28

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 30055706.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S)-N-(3-amino-2-methylphenyl)-2-[(2S)-2-methylmorpholin-4-yl]propanamide

2.1.2 InChI

InChI=1S/C15H23N3O2/c1-10-9-18(7-8-20-10)12(3)15(19)17-14-6-4-5-13(16)11(14)2/h4-6,10,12H,7-9,16H2,1-3H3,(H,17,19)/t10-,12-/m0/s1

2.1.3 InChIKey

WKKGYVGMXFVIBU-JQWIXIFHSA-N

2.1.4 SMILES

C[C@H]1CN(CCO1)[C@@H](C)C(=O)NC2=CC=CC(=C2C)N

2.2 Molecular Formula

C15H23N3O2

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
277.36 g/mol
Property Name
XLogP3-AA
Property Value
1.3
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
3
Property Name
Exact Mass
Property Value
277.17902698 g/mol
Property Name
Monoisotopic Mass
Property Value
277.17902698 g/mol
Property Name
Topological Polar Surface Area
Property Value
67.6 A^2
Property Name
Heavy Atom Count
Property Value
20
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
337
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
2
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

5 Information Sources

CONTENTS