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Also known as: 4-((l-valyl)oxy)butanoic acid, Xwl-008, Xw10172, 9b8nwp8k91, L-valine, 3-carboxypropyl ester, Xw-10172

Molecular Formula

C₉H₁₇NO₄

Molecular Weight

203.24 g/mol

InChI Key

RMGPNQKZEPTAOC-QMMMGPOBSA-N

FDA UNII

9B8NWP8K91

VALILOXYBATE is a small molecule drug with a maximum clinical trial phase of II (across all indications) and has 2 investigational indications.

1 2D Structure

Valiloxybate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-[(2S)-2-amino-3-methylbutanoyl]oxybutanoic acid

2.1.2 InChI

InChI=1S/C9H17NO4/c1-6(2)8(10)9(13)14-5-3-4-7(11)12/h6,8H,3-5,10H2,1-2H3,(H,11,12)/t8-/m0/s1

2.1.3 InChI Key

RMGPNQKZEPTAOC-QMMMGPOBSA-N

2.2 Other Identifiers

2.2.1 UNII

9B8NWP8K91

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 4-((l-valyl)oxy)butanoic Acid

2. Xwl-008

3. Xw10172

4. 9b8nwp8k91

5. L-valine, 3-carboxypropyl Ester

6. Xw-10172

7. Refchem:1100924

8. Valiloxibic Acid

9. 238401-16-6

10. Valiloxybate [usan]

11. Valiloxybate (usan)

12. 4-[(2s)-2-amino-3-methylbutanoyl]oxybutanoic Acid

13. Starbld0003028

14. Valiloxybate [inn]

15. Unii-9b8nwp8k91

16. Orb1690933

17. Schembl3730354

18. Chembl5095201

19. Who 11367

20. Akos040757642

21. Da-58947

22. Ms-23099

23. Hy-137429

24. Cs-0138627

25. D12240

26. G18491

27. 4-{[(2s)-2-amino-3-methylbutanoyl]oxy}butanoic Acid

2.4 Create Date

2011-12-04

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₇NO₄
Molecular Weight	203.24 g/mol
XLogP3	-1.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	89.6
Heavy Atom Count	14
Formal Charge	0
Complexity	203
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

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