1 2D Structure

2D Structure

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)-methyl 2-amino-2-(2-chlorophenyl)acetate

3. L-2-chlorophenylglycine Methyl Ester

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

5. (s)-2-chlorophenylglycine Methyl Ester

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

7. Schembl5101666

8. Dtxsid10471702

9. Ac-255

10. Mfcd02258899

11. Zinc21983015

12. Akos016842506

13. Am84375

14. Cs-0107172

15. L-(+)-(2-chlorophenyl)glycine Methyl Ester

16. (s)-methyl2-amino-2-(2-chlorophenyl)acetate

17. D97832

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

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

20. 109c140

21. Q-101328

22. (+)2-(2-chlorophenyl)glycine Methyl Ester (tartrate Salt)

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

24. Benzeneacetic Acid, Alpha-amino-2-chloro-, Methyl Ester, (alphas)-

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₀ClNO₂
Molecular Weight	199.63 g/mol
XLogP3	1.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	199.0400063 g/mol
Monoisotopic Mass	199.0400063 g/mol
Topological Polar Surface Area	52.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	187
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

CAS 141109-14-0

CAS 141109-14-0

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