CAS 196601-69-1

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Also known as: 196601-69-1, (2r)-2-amino-n-benzyl-3-methoxypropanamide, (r)-2-amino-n-benzyl-3-methoxypropionamide, Propanamide, 2-amino-3-methoxy-n-(phenylmethyl)-, (2r)-, Desacetyl lacosamide, Descarbonyl-lacosamide

Molecular Formula

C₁₁H₁₆N₂O₂

Molecular Weight

208.26 g/mol

InChI Key

WPLANNRKFDHEKD-SNVBAGLBSA-N

FDA UNII

R88M5U8KUE

1 2D Structure

CAS 196601-69-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2R)-2-amino-N-benzyl-3-methoxypropanamide

2.1.2 InChI

InChI=1S/C11H16N2O2/c1-15-8-10(12)11(14)13-7-9-5-3-2-4-6-9/h2-6,10H,7-8,12H2,1H3,(H,13,14)/t10-/m1/s1

2.1.3 InChI Key

WPLANNRKFDHEKD-SNVBAGLBSA-N

2.1.4 Canonical SMILES

COCC(C(=O)NCC1=CC=CC=C1)N

2.1.5 Isomeric SMILES

COC[C@H](C(=O)NCC1=CC=CC=C1)N

2.2 Other Identifiers

2.2.1 UNII

R88M5U8KUE

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 196601-69-1

2. (2r)-2-amino-n-benzyl-3-methoxypropanamide

3. (r)-2-amino-n-benzyl-3-methoxypropionamide

4. Propanamide, 2-amino-3-methoxy-n-(phenylmethyl)-, (2r)-

5. Desacetyl Lacosamide

6. Descarbonyl-lacosamide

7. (2r)-2-amino-3-methoxy-n-(phenylmethyl)propanamide

8. Lacosamide Metabolite M5

9. R88m5u8kue

10. N-benzyl-o-methyl-d-serinamide

11. Spm 6912

12. (2r)-2-amino-n-benzyl-3-methoxy-propanamide

13. Unii-r88m5u8kue

14. Lacosamide Impurity D [ep]

15. Schembl42109

16. O-methyl-n-benzyl-d-serinamide

17. Chembl1852815

18. Zinc24409

19. Dtxsid40435655

20. Chebi:169908

21. Wha60169

22. Mfcd14708219

23. Akos015888804

24. Ac-31111

25. Ps-11266

26. Lacosamide Impurity D [ep Impurity]

27. (r)-n-benzyl-2-amino-3-methoxypropionamide

28. Bb 0262009

29. J-012713

2.4 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₆N₂O₂
Molecular Weight	208.26 g/mol
XLogP3	0
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	208.121177757 g/mol
Monoisotopic Mass	208.121177757 g/mol
Topological Polar Surface Area	64.4 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	191
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