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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: 19146-55-5, (r)-2-acetamidopentanedioic acid, Ac-d-glu-oh, (2r)-2-acetamidopentanedioic acid, D-glutamic acid, n-acetyl-, 339072-10-5

Molecular Formula

C₇H₁₁NO₅

Molecular Weight

189.17 g/mol

InChI Key

RFMMMVDNIPUKGG-RXMQYKEDSA-N

1 2D Structure

N-Acetyl-D-Glutamic Acid

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2R)-2-acetamidopentanedioic acid

2.1.2 InChI

InChI=1S/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t5-/m1/s1

2.1.3 InChI Key

RFMMMVDNIPUKGG-RXMQYKEDSA-N

2.1.4 Canonical SMILES

CC(=O)NC(CCC(=O)O)C(=O)O

2.1.5 Isomeric SMILES

CC(=O)N[C@H](CCC(=O)O)C(=O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 19146-55-5

2. (r)-2-acetamidopentanedioic Acid

3. Ac-d-glu-oh

4. (2r)-2-acetamidopentanedioic Acid

5. D-glutamic Acid, N-acetyl-

6. 339072-10-5

7. N-acetyld-glutamicacid

8. N-acetyl-d-glutamic Aicd

9. D-n-acetyl Glutamic Acid

10. Schembl716411

11. N-acetyl D-glutamic Acid

12. Dtxsid70364404

13. Zinc1764662

14. Mfcd00063196

15. Akos006275139

16. Akos015837755

17. Am81691

18. Cs-w015957

19. Ds-1278

20. Fd21438

21. Hy-w015241

22. Ac-24112

23. A813493

24. J-012375

25. Bb76a796-76e5-4e5d-89f8-c7474070d238

2.3 Create Date

2005-07-11

3 Chemical and Physical Properties

Molecular Formula	C₇H₁₁NO₅
Molecular Weight	189.17 g/mol
XLogP3	-1.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	189.06372245 g/mol
Monoisotopic Mass	189.06372245 g/mol
Topological Polar Surface Area	104 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	225
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1