CAS 149690-12-0

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8 End Use APIs
53 Related Intermediates

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Also known as: 149690-12-0, (2r,4s)-ethyl 5-([1,1'-biphenyl]-4-yl)-4-amino-2-methylpentanoate hydrochloride, (2r,4s)-4-amino-5-biphenyl-4-yl-2-methylpentanoic acid ethyl ester hydrochloride, (2r,4s)-ethyl 5-([1,1'-biphenyl]-4-yl)-4-amino-2-methylpentanoate hcl salt, Ethyl (2r,4s)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate;hydrochloride, (2r,4s)-ethyl 5-([1,1'-biphenyl]-4-yl)-4-amino-2-methylpentanoate hcl

Molecular Formula

C₂₀H₂₆ClNO₂

Molecular Weight

347.9 g/mol

InChI Key

MYJTZLYRAWUSLB-WSCVZUBPSA-N

1 2D Structure

CAS 149690-12-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethyl (2R,4S)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate;hydrochloride

2.1.2 InChI

InChI=1S/C20H25NO2.ClH/c1-3-23-20(22)15(2)13-19(21)14-16-9-11-18(12-10-16)17-7-5-4-6-8-17;/h4-12,15,19H,3,13-14,21H2,1-2H3;1H/t15-,19+;/m1./s1

2.1.3 InChI Key

MYJTZLYRAWUSLB-WSCVZUBPSA-N

2.1.4 Canonical SMILES

CCOC(=O)C(C)CC(CC1=CC=C(C=C1)C2=CC=CC=C2)N.Cl

2.1.5 Isomeric SMILES

CCOC(=O)[C@H](C)C[C@@H](CC1=CC=C(C=C1)C2=CC=CC=C2)N.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 149690-12-0

2. (2r,4s)-ethyl 5-([1,1'-biphenyl]-4-yl)-4-amino-2-methylpentanoate Hydrochloride

3. (2r,4s)-4-amino-5-biphenyl-4-yl-2-methylpentanoic Acid Ethyl Ester Hydrochloride

4. (2r,4s)-ethyl 5-([1,1'-biphenyl]-4-yl)-4-amino-2-methylpentanoate Hcl Salt

5. Ethyl (2r,4s)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate;hydrochloride

6. (2r,4s)-ethyl 5-([1,1'-biphenyl]-4-yl)-4-amino-2-methylpentanoate Hcl

7. Mfcd27955986

8. Schembl597844

9. Ambz0397

10. Zfa69012

11. Akos027324882

12. Am85595

13. Ac-28985

14. Cs-13047

15. Cs-0009332

16. A854857

17. (2r,4s)-4-amino-5-(biphenyl-4-yl)-2-methylpentanoic Acid Ethyl Ester Hcl

18. (2r,4s)-ethyl 4-amino-5-(biphenyl-4-yl)-2-methylpentanoate Hydrochloride

19. (2r,4s)-4-amino-5-biphenyl-4-yl-2-methyl-pentanoic Acid Ethyl Ester Hydrochloride

20. (2r,4s)-4-amino-5-biphenyl-4-yl-2-methyl-pentanoic Acid Ethyl Ester Hydrochloride Salt

21. (2r,4s)-ethyl 4-amino-5-(biphenyl-4-yl)-2-methylpentanoate Hydrochloride Salt

22. (2r,4s)-ethyl5-([1,1'-biphenyl]-4-yl)-4-amino-2-methylpentanoatehydrochloride

23. Ahu-377; (2r,4s)-4-amino-5-(biphenyl-4-yl)-2-methylpentanoic Acid Ethyl Ester Hydrochloride

2.3 Create Date

2008-11-03

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₂₆ClNO₂
Molecular Weight	347.9 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	8
Exact Mass	347.1652068 g/mol
Monoisotopic Mass	347.1652068 g/mol
Topological Polar Surface Area	52.3 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	344
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2