CAS 50890-96-5

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 50890-96-5

Chemistry

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