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CID 51272787

PubChem CID
51272787
Structure
CID 51272787_small.png
Molecular Formula
Status
Non-live
Molecular Weight
375.4 g/mol
Dates
  • Create:
    2011-05-03

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 51272787.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl 2-[[4-[(2-acetamido-2-cyclopentylacetyl)amino]benzoyl]amino]acetate

2.1.2 InChI

InChI=1S/C19H25N3O5/c1-12(23)21-17(13-5-3-4-6-13)19(26)22-15-9-7-14(8-10-15)18(25)20-11-16(24)27-2/h7-10,13,17H,3-6,11H2,1-2H3,(H,20,25)(H,21,23)(H,22,26)

2.1.3 InChIKey

WAPUCZLSKITHBH-UHFFFAOYSA-N

2.1.4 SMILES

CC(=O)NC(C1CCCC1)C(=O)NC2=CC=C(C=C2)C(=O)NCC(=O)OC

2.2 Molecular Formula

C19H25N3O5

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
375.4 g/mol
Property Name
XLogP3-AA
Property Value
1.5
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
8
Property Name
Exact Mass
Property Value
375.17942091 g/mol
Property Name
Monoisotopic Mass
Property Value
375.17942091 g/mol
Property Name
Topological Polar Surface Area
Property Value
114 A^2
Property Name
Heavy Atom Count
Property Value
27
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
552
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

5 Information Sources

CONTENTS