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Molecule
5-Hydroxytryptophan
CAS: 4350-09-8 · C11H12N2O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 4350-09-8
- Molecular Formula
- C11H12N2O3
- Molecular Mass
- 220.23 g/mol
Identifiers
CAS Registry Number
4350-09-8
SMILES
N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O
InChI Key
LDCYZAJDBXYCGN-VIFPVBQESA-N
InChI
InChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)/t9-/m0/s1
Names and Synonyms
- 5-Hydroxytryptophan Synonym
- L-Tryptophan, 5-hydroxy- Synonym
- Tryptophan, 5-hydroxy-, L- Synonym
- 5-Hydroxy-L-tryptophan Synonym
- L-5-Hydroxytryptophan Synonym
- 5-Hydroxyl-L-tryptophan Synonym
- Pretonine Synonym
- Quietim Synonym
- Oxitriptan Synonym
- 5-Hydroxytryptophan Synonym
- Triptene Synonym
- Levotinine Synonym
- Telesol Synonym
- Tript-Oh Synonym
- Levothym Synonym
- Oxyfan Synonym
- Serotonyl Synonym
- Cincofarm Synonym
- L-5-HTP Synonym
- (S)-5-Hydroxytryptophan Synonym
- (2S)-2-Azaniumyl-3-(5-hydroxy-1H-indol-3-yl)propanoate Synonym
- (2S)-2-Amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid Synonym
- (S)-2-Amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 220.23 g/mol | CAS Common Chemistry |
| 220.22799999999998 g/mol | RDKit | |
| 220.228 g/mol | RDKit | |
| 221.236 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/5-Hydroxytryptophan | CAS Common Chemistry |
| Canonical SMILES | O=C(O)C(N)CC1=CNC=2C=CC(O)=CC21 | CAS Common Chemistry |
| InChI | InChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)/t9-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=LDCYZAJDBXYCGN-VIFPVBQESA-N | CAS Common Chemistry |
| Melting Point | 273 °C (decomp) | CAS Common Chemistry |
| Name | 5-Hydroxy-L-tryptophan | CAS Common Chemistry |
| 5-Hydroxytryptophan | CAS Common Chemistry | |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 99.34000000000002 Ų | RDKit |
| 99.34 Ų | RDKit | |
| 95.55 Ų | chempirical lib | |
| LogP | 0.8279000000000003 | RDKit |
| 0.8279 | RDKit | |
| 0.91 | chempirical lib | |
| Molar Refractivity | 59.278700000000015 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1818 | RDKit |
| Exact Mass | 220.084792244 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 |
|---|
200 ppm
180
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20
0 ppm
| 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.
External Resources
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MW = 220.23 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C11H12N2O3.
