L-Tyr(OAC)NCA

Synopsis, Chemistry

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Also known as: 34487-86-0, Tyr-nca, 4-((4-hydroxyphenyl)methyl)oxazolidine-2,5-dione, Einecs 252-059-9, L-tyrosine n-carboxy anhydride, Mfcd11046653

Molecular Formula

C₁₀H₉NO₄

Molecular Weight

207.18 g/mol

InChI Key

HOEAPYNDVBABMC-UHFFFAOYSA-N

1 2D Structure

L-Tyr(OAC)NCA

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-[(4-hydroxyphenyl)methyl]-1,3-oxazolidine-2,5-dione

2.1.2 InChI

InChI=1S/C10H9NO4/c12-7-3-1-6(2-4-7)5-8-9(13)15-10(14)11-8/h1-4,8,12H,5H2,(H,11,14)

2.1.3 InChI Key

HOEAPYNDVBABMC-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=CC=C1CC2C(=O)OC(=O)N2)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 34487-86-0

2. Tyr-nca

3. 4-((4-hydroxyphenyl)methyl)oxazolidine-2,5-dione

4. Einecs 252-059-9

5. L-tyrosine N-carboxy Anhydride

6. Mfcd11046653

7. L-tyr-nca

8. 4-(4-hydroxybenzyl)oxazolidine-2,5-dione

9. (s)-4-(4-hydroxy-benzyl)-oxazolidine-2,5-dione

10. Schembl8888698

11. Dtxsid30956021

12. Act12041

13. Ab89261

14. Sy068880

15. Ft-0698285

16. 2-hydroxy-4-[(4-hydroxyphenyl)methyl]-1,3-oxazol-5(4h)-one

2.3 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₉NO₄
Molecular Weight	207.18 g/mol
XLogP3	1.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	207.05315777 g/mol
Monoisotopic Mass	207.05315777 g/mol
Topological Polar Surface Area	75.6 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	271
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1