CAS 50890-96-5

Chemistry, 1 End Use API, 14 Related Intermediates

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Also known as: 50890-96-5, (r)-2-(methoxycarbonylamino)-2-phenylacetic acid, (2r)-2-(methoxycarbonylamino)-2-phenylacetic acid, (r)-2-[(methoxycarbonyl)amino]-2-phenylacetic acid, Mfcd12796004, N-methoxycarbonyl-d-phenylglycine

Molecular Formula

C₁₀H₁₁NO₄

Molecular Weight

209.20 g/mol

InChI Key

GOJLQSAREKTKPT-MRVPVSSYSA-N

1 2D Structure

CAS 50890-96-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2R)-2-(methoxycarbonylamino)-2-phenylacetic acid

2.1.2 InChI

InChI=1S/C10H11NO4/c1-15-10(14)11-8(9(12)13)7-5-3-2-4-6-7/h2-6,8H,1H3,(H,11,14)(H,12,13)/t8-/m1/s1

2.1.3 InChI Key

GOJLQSAREKTKPT-MRVPVSSYSA-N

2.1.4 Canonical SMILES

COC(=O)NC(C1=CC=CC=C1)C(=O)O

2.1.5 Isomeric SMILES

COC(=O)N[C@H](C1=CC=CC=C1)C(=O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 50890-96-5

2. (r)-2-(methoxycarbonylamino)-2-phenylacetic Acid

3. (2r)-2-(methoxycarbonylamino)-2-phenylacetic Acid

4. (r)-2-[(methoxycarbonyl)amino]-2-phenylacetic Acid

5. Mfcd12796004

6. N-methoxycarbonyl-d-phenylglycine

7. Methoxycarbonyl-d-phenylglycine

8. Schembl194384

9. (alphar)-alpha-[(methoxycarbonyl)amino]benzeneacetic Acid

10. Gojlqsarektkpt-mrvpvssysa-n

11. Dtxsid201234701

12. Amy25362

13. Akos010384803

14. Ds-8960

15. Hy-w043423

16. Pd197167

17. (r)-methoxycarbonylamino-phenyl-acetic Acid

18. Cs-0036426

19. M3293

20. W10821

21. A913554

22. (r)-2-((methoxycarbonyl)amino)-2-phenylaceticacid

23. Benzeneacetic Acid, A-[(methoxycarbonyl)amino]-, (ar)-

24. (r)-2-((methoxycarbonyl)amino)-2-phenylacetic Acid (meoco-d-phg-oh)

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₁NO₄
Molecular Weight	209.20 g/mol
XLogP3	1.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	75.6
Heavy Atom Count	15
Formal Charge	0
Complexity	236
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

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CAS Number

50890-96-5

Intermediate Name

Moc-D-phenylglycine

About the Company

PMC Isochem is a CDMO company acquired by PMC International in 2017. It manufactures cGMP intermediates, ...

PMC Isochem is a CDMO company acquired by PMC International in 2017. It manufactures cGMP intermediates, active pharmaceutical ingredients and functional excipients for pharmaceutical and personal care companies worldwide. Its business includes research, product and process development, pilot-scale, industrial production and regulatory approvals support. It adds value to its clients' intellectual property through constant innovation in manufacturing techniques throughout the product life cycle. PMC Isochem's facilities are located within 60 miles of Paris and are all US FDA-audited plants.