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CAS 141109-14-0
PharmaCompass
CAS 141109-14-0
Also known as: 141109-14-0, (s)-(+)-2-chlorophenylglycine methyl ester, (s)-methyl 2-amino-2-(2-chlorophenyl)acetate, L-2-chlorophenylglycine methyl ester, (s)-2-chlorophenylglycine methyl ester, Ak-45098
Molecular Formula
C9H10ClNO2
Molecular Weight
199.634  g/mol
InChI Key
UTWOZNRDJNWTPS-QMMMGPOBSA-N

1 2D Structure

CAS 141109-14-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
methyl (2S)-2-amino-2-(2-chlorophenyl)acetate
2.1.2 InChI
InChI=1S/C9H10ClNO2/c1-13-9(12)8(11)6-4-2-3-5-7(6)10/h2-5,8H,11H2,1H3/t8-/m0/s1
2.1.3 InChI Key
UTWOZNRDJNWTPS-QMMMGPOBSA-N
2.1.4 Canonical SMILES
COC(=O)C(C1=CC=CC=C1Cl)N
2.1.5 Isomeric SMILES
COC(=O)[C@H](C1=CC=CC=C1Cl)N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 141109-14-0

2. (s)-(+)-2-chlorophenylglycine Methyl Ester

3. (s)-methyl 2-amino-2-(2-chlorophenyl)acetate

4. L-2-chlorophenylglycine Methyl Ester

5. (s)-2-chlorophenylglycine Methyl Ester

6. Ak-45098

7. Q-101328

8. Methyl (2s)-2-amino-2-(2-chlorophenyl)acetate

9. Pubchem6252

10. Schembl5101666

11. Dtxsid10471702

12. Utwoznrdjnwtps-qmmmgpobsa-n

13. Ac-255

14. Cc0013

15. Mfcd02258899

16. Zinc21983015

17. Am84375

18. Fch1122468

19. Rp25728

20. Aj-79157

21. Bc677959

22. Kb-04966

23. L-(+)-2-chlorophenylglycine Methyl Ester

24. Ax8048248

25. St2402866

26. Ft-0082987

27. Ft-0643322

28. S(+)-2-chlorophenylglycine Methyl Ester Tartrate

29. (s)-amino(2-chlorophenyl)acetic Acid Methyl Ester

30. 109c140

31. S01-0713

32. (+)2-(2-chlorophenyl)glycine Methyl Ester (tartrate Salt)

33. Methyl (+)-(s)-alpha-amino-alpha-(2-chlorophenyl)acetate

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 199.634 g/mol
Molecular Formula C9H10ClNO2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass199.04 g/mol
Monoisotopic Mass199.04 g/mol
Topological Polar Surface Area52.3 A^2
Heavy Atom Count13
Formal Charge0
Complexity187
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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