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Also known as: 57591-61-4, (r)-methyl 2-amino-2-(4-hydroxyphenyl)acetate hydrochloride, D-4-hydroxyphenylglycine methyl ester hcl, D-4-hydroxyphenylglycine methyl ester hydrochloride, (r)-amino-(4-hydroxyphenyl)acetic acid methyl ester hcl, (r)-methyl 2-amino-2-(4-hydroxyphenyl)acetate hcl
Molecular Formula
C9H12ClNO3
Molecular Weight
217.65  g/mol
InChI Key
UYCKVJUNDXPDJH-DDWIOCJRSA-N

CAS 57591-61-4
1 2D Structure

CAS 57591-61-4

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
methyl (2R)-2-amino-2-(4-hydroxyphenyl)acetate;hydrochloride
2.1.2 InChI
InChI=1S/C9H11NO3.ClH/c1-13-9(12)8(10)6-2-4-7(11)5-3-6;/h2-5,8,11H,10H2,1H3;1H/t8-;/m1./s1
2.1.3 InChI Key
UYCKVJUNDXPDJH-DDWIOCJRSA-N
2.1.4 Canonical SMILES
COC(=O)C(C1=CC=C(C=C1)O)N.Cl
2.1.5 Isomeric SMILES
COC(=O)[C@@H](C1=CC=C(C=C1)O)N.Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 57591-61-4

2. (r)-methyl 2-amino-2-(4-hydroxyphenyl)acetate Hydrochloride

3. D-4-hydroxyphenylglycine Methyl Ester Hcl

4. D-4-hydroxyphenylglycine Methyl Ester Hydrochloride

5. (r)-amino-(4-hydroxyphenyl)acetic Acid Methyl Ester Hcl

6. (r)-methyl 2-amino-2-(4-hydroxyphenyl)acetate Hcl

7. Methyl (2r)-2-amino-2-(4-hydroxyphenyl)acetate;hydrochloride

8. Mfcd01862152

9. Methyl (2r)-2-amino-2-(4-hydroxyphenyl)acetate Hydrochloride

10. Methyl (2r)-2-amino-2-(4-hydroxyphenyl)acetate,hydrochloride

11. Schembl1584177

12. Dtxsid10528780

13. Akos015893992

14. Cs-w014809

15. Gs-4249

16. Ac-33864

17. Am20060676

18. 591a614

19. A854379

20. D-p-hydroxyphenylglycine Methyl Ester Hydrochloride

21. Methyl(r)-amino-(4-hydroxyphenyl)acetate Hydrochloride

22. Methyl (r)-amino-(4-hydroxyphenyl)acetate Hydrochloride

23. (r)-methyl2-amino-2-(4-hydroxyphenyl)acetatehydrochloride

24. Methyl (2r)-amino(4-hydroxyphenyl)acetate--hydrogen Chloride (1/1)

25. (r)-amino-(4-hydroxyphenyl)acetic Acid Methyl Ester Hydrochloride, 97%

2.3 Create Date
2007-02-08
3 Chemical and Physical Properties
Molecular Weight 217.65 g/mol
Molecular Formula C9H12ClNO3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass217.0505709 g/mol
Monoisotopic Mass217.0505709 g/mol
Topological Polar Surface Area72.6 Ų
Heavy Atom Count14
Formal Charge0
Complexity176
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

BUILDING BLOCK

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