Dipotassium 2-Acetamidobutanedioate

Synopsis, Chemistry

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Also known as: 3397-52-2, Dipotassium;2-acetamidobutanedioate, Cf69emr3nn, Einecs 222-258-5, Cogitum, Unii-cf69emr3nn

Molecular Formula

C₆H₇K₂NO₅

Molecular Weight

251.32 g/mol

InChI Key

CNOZYEVPMFZJSM-UHFFFAOYSA-L

FDA UNII

CF69EMR3NN

1 2D Structure

Dipotassium 2-Acetamidobutanedioate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

dipotassium;2-acetamidobutanedioate

2.1.2 InChI

InChI=1S/C6H9NO5.2K/c1-3(8)7-4(6(11)12)2-5(9)10;;/h4H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12);;/q;2*+1/p-2

2.1.3 InChI Key

CNOZYEVPMFZJSM-UHFFFAOYSA-L

2.1.4 Canonical SMILES

CC(=O)NC(CC(=O)[O-])C(=O)[O-].[K+].[K+]

2.2 Other Identifiers

2.2.1 UNII

CF69EMR3NN

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 3397-52-2

2. Dipotassium;2-acetamidobutanedioate

3. Cf69emr3nn

4. Einecs 222-258-5

5. Cogitum

6. Unii-cf69emr3nn

7. Akos030590008

8. N-acetyl-dl-aspartic Acid Potassium Salt

9. N-acetyl-aminosuccinate Bi-potassium Salt

10. Aspartic Acid, N-acetyl-, Dipotassium Salt

11. Dl-aspartic Acid, N-acetyl-, Dipotassium Salt

12. Aspartic Acid, N-acetyl-, Dipotassium Salt, Dl-

13. Aspartic Acid, N-acetyl-, Potassium Salt (1:2)

14. 22304-28-5

2.4 Create Date

2006-04-29

3 Chemical and Physical Properties

Molecular Formula	C₆H₇K₂NO₅
Molecular Weight	251.32 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	250.95983529 g/mol
Monoisotopic Mass	250.95983529 g/mol
Topological Polar Surface Area	109 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	201
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	3