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CID 22811752

PubChem CID
22811752
Structure
CID 22811752_small.png
Molecular Formula
Status
Non-live
Molecular Weight
152.17 g/mol
Dates
  • Create:
    2007-12-05

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 22811752.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S)-2-(deuterioamino)-2-phenylacetic acid

2.1.2 InChI

InChI=1S/C8H9NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,9H2,(H,10,11)/t7-/m0/s1/i/hD

2.1.3 InChIKey

ZGUNAGUHMKGQNY-GYCCCYJJSA-N

2.1.4 SMILES

[2H]N[C@@H](C1=CC=CC=C1)C(=O)O

2.2 Molecular Formula

C8H9NO2

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
152.17 g/mol
Property Name
XLogP3
Property Value
-1.7
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
2
Property Name
Exact Mass
Property Value
152.069605276 g/mol
Property Name
Monoisotopic Mass
Property Value
152.069605276 g/mol
Property Name
Topological Polar Surface Area
Property Value
63.3 A^2
Property Name
Heavy Atom Count
Property Value
11
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
141
Property Name
Isotope Atom Count
Property Value
1
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

5 Information Sources

CONTENTS