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Molecule
L-Tyrosine N-Carboxyanhydride
CAS: 3415-08-5 · C10H9NO4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 3415-08-5
- Molecular Formula
- C10H9NO4
- Molecular Mass
- 207.18 g/mol
Identifiers
CAS Registry Number
3415-08-5
SMILES
O=C1OC(O)=N[C@H]1Cc1ccc(O)cc1
InChI Key
HOEAPYNDVBABMC-QMMMGPOBSA-N
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)/t8-/m0/s1
Names and Synonyms
- L-Tyrosine N-Carboxyanhydride Synonym
- 2,5-Oxazolidinedione, 4-[(4-hydroxyphenyl)methyl]-, (4S)- Synonym
- 2,5-Oxazolidinedione, 4-(p-hydroxybenzyl)-, L- Synonym
- 2,5-Oxazolidinedione, 4-[(4-hydroxyphenyl)methyl]-, (S)- Synonym
- (4S)-4-[(4-Hydroxyphenyl)methyl]-2,5-oxazolidinedione Synonym
- N-Carboxy-L-tyrosine anhydride Synonym
- L-Tyrosine N-carboxyanhydride Synonym
- (S)-4-(4-Hydroxybenzyl)oxazolidine-2,5-dione Synonym
- (4S)-4-[(4-Hydroxyphenyl)methyl]-1,3-oxazolidine-2,5-dione Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 207.18 g/mol | CAS Common Chemistry |
| 207.185 g/mol | RDKit | |
| Canonical SMILES | O=C1OC(=O)C(N1)CC2=CC=C(O)C=C2 | CAS Common Chemistry |
| 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)/t8-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=HOEAPYNDVBABMC-QMMMGPOBSA-N | CAS Common Chemistry |
| Name | L-Tyrosine N-carboxyanhydride | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 79.12 Ų | RDKit |
| LogP | 0.7741 | RDKit |
| Molar Refractivity | 51.754600000000025 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2 | RDKit |
| Exact Mass | 207.053157768 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 207.18 g/mol. Edit any field — others recompute live.
