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Also known as: 851785-21-2, Methyl (s)-2-amino-3-(3-(methylsulfonyl)phenyl)propanoate hydrochloride, Methyl (s)-2-amino-3-(3-(methylsulfonyl)phenyl)propanoate hcl, Methyl (2s)-2-amino-3-(3-methylsulfonylphenyl)propanoate;hydrochloride, Amy3356, Bcp16303
Molecular Formula
C11H16ClNO4S
Molecular Weight
293.77  g/mol
InChI Key
VUUYKOLKOIYVCR-PPHPATTJSA-N

CAS 851785-21-2
1 2D Structure

CAS 851785-21-2

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
methyl (2S)-2-amino-3-(3-methylsulfonylphenyl)propanoate;hydrochloride
2.1.2 InChI
InChI=1S/C11H15NO4S.ClH/c1-16-11(13)10(12)7-8-4-3-5-9(6-8)17(2,14)15;/h3-6,10H,7,12H2,1-2H3;1H/t10-;/m0./s1
2.1.3 InChI Key
VUUYKOLKOIYVCR-PPHPATTJSA-N
2.1.4 Canonical SMILES
COC(=O)C(CC1=CC(=CC=C1)S(=O)(=O)C)N.Cl
2.1.5 Isomeric SMILES
COC(=O)[C@H](CC1=CC(=CC=C1)S(=O)(=O)C)N.Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 851785-21-2

2. Methyl (s)-2-amino-3-(3-(methylsulfonyl)phenyl)propanoate Hydrochloride

3. Methyl (s)-2-amino-3-(3-(methylsulfonyl)phenyl)propanoate Hcl

4. Methyl (2s)-2-amino-3-(3-methylsulfonylphenyl)propanoate;hydrochloride

5. Amy3356

6. Bcp16303

7. Mfcd29037384

8. Akos025395815

9. Ds-8216

10. Ac-30967

11. Cs-0044149

12. F52940

13. (s)-methyl2-amino-3-(3-(methylsulfonyl)phenyl)propanoatehydrochloride

14. Methyl(s)-2-amino-3-(3-(methylsulfonyl)phenyl)propanoate Hydrochloride

15. (s)-methyl 2-amino-3-(3-(methylsulfonyl)phenyl)propanoate Hydrochloride (h-l-phe(3-so2me)-ome.hcl)

2.3 Create Date
2015-10-12
3 Chemical and Physical Properties
Molecular Weight 293.77 g/mol
Molecular Formula C11H16ClNO4S
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass293.0488569 g/mol
Monoisotopic Mass293.0488569 g/mol
Topological Polar Surface Area94.8 Ų
Heavy Atom Count18
Formal Charge0
Complexity360
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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Epoch Labs

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methyl (S)-2-amino-3-(3-(methylsulfonyl)phenyl)pro...

CAS Number : 851785-21-2

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About the Company : Epoch-Labs is a Hyderabad, India based Research Organization that gives science administrations to expansive pharmaceutical organization, agrochemical organizations crosswise over globe...

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CAS Number : 851785-21-2

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About the Company : Fuan Pharmaceutical (Group) Co., Ltd. was established on February 25, 2004. The company is located in Chongqing Changshou Economic and Technological Development Zone, covering an area o...

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Methyl (S)-2-amino-3-(3-(methylsulfonyl)phenyl) pr...

CAS Number : 851785-21-2

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About the Company : Prajna is an innovation driven pharmaceutical company. We dedicated to Research, Process development and Manufacturing APIs and Advanced Intermediates for Active Pharmaceutical Ingredie...

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