Back to Search
5-Hydroxytryptophan
CAS: 4350-09-8 | C11H12N2O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4350-09-8
Molecular Formula:
C11H12N2O3
Molecular Mass:
220.23 g/mol
Names and Synonyms:
5-Hydroxytryptophan
L-Tryptophan, 5-hydroxy-
Tryptophan, 5-hydroxy-, L-
5-Hydroxy-L-tryptophan
L-5-Hydroxytryptophan
5-Hydroxyl-L-tryptophan
Pretonine
Quietim
Oxitriptan
5-Hydroxytryptophan
Triptene
Levotinine
Telesol
Tript-Oh
Levothym
Oxyfan
Serotonyl
Cincofarm
L-5-HTP
(S)-5-Hydroxytryptophan
(2S)-2-Azaniumyl-3-(5-hydroxy-1H-indol-3-yl)propanoate
(2S)-2-Amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid
(S)-2-Amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid
Identifiers:
SMILES:
N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O
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
Key Properties
Melting Point
273 °C (decomp)
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 220.23 g/mol | CAS Common Chemistry |
| 220.22799999999998 g/mol | RDKit | |
| 220.084792244 g/mol | RDKit | |
| 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 |
| LogP | 0.8279000000000003 | RDKit |
| Molar Refractivity | 59.278700000000015 | RDKit |
