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CAS 196601-69-1
PharmaCompass
  • Chemistry
CAS 196601-69-1
Also known as: 196601-69-1, (r)-2-amino-n-benzyl-3-methoxypropanamide, (2r)-2-amino-3-methoxy-n-(phenylmethyl)propanamide, N-benzyl-o-methyl-d-serinamide, (r)-2-amino-n-benzyl-3-methoxypropionamide, Propanamide, 2-amino-3-methoxy-n-(phenylmethyl)-, (2r)-
Molecular Formula
C11H16N2O2
Molecular Weight
208.261  g/mol
InChI Key
WPLANNRKFDHEKD-SNVBAGLBSA-N

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 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 196601-69-1

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

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

4. N-benzyl-o-methyl-d-serinamide

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

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

7. Ak305853

8. (2r)-2-amino-n-benzyl-3-methoxy-propanamide

9. Descarbonyl-lacosamide

10. Schembl42109

11. O-methyl-n-benzyl-d-serinamide

12. Chembl1852815

13. Ctk4e1996

14. Zinc24409

15. Dtxsid40435655

16. Molport-009-684-160

17. Wplannrkfdhekd-snvbaglbsa-n

18. Ks-000002fd

19. 6618ad

20. An-402

21. Mfcd14708219

22. Akos015888804

23. Api0007649

24. Fch1736199

25. Or138491

26. Ab1008482

27. Db-065915

28. Tc-064380

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

30. Bb 0262009

31. Ft-0682370

32. Z-2429

33. J-012713

34. I01-15588

2.3 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 208.261 g/mol
Molecular Formula C11H16N2O2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass208.121 g/mol
Monoisotopic Mass208.121 g/mol
Topological Polar Surface Area64.4 A^2
Heavy Atom Count15
Formal Charge0
Complexity191
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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