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Α-Amino-1H-Pyrrolo[2,3-B]Pyridine-3-Propanoic Acid
CAS: 7303-50-6 | C10H11N3O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7303-50-6
Molecular Formula:
C10H11N3O2
Molecular Mass:
205.22 g/mol
Names and Synonyms:
Α-Amino-1H-Pyrrolo[2,3-B]Pyridine-3-Propanoic Acid
1H-Pyrrolo[2,3-b]pyridine-3-propanoic acid, α-amino-
1H-Pyrrolo[2,3-b]pyridine-3-propionic acid, α-amino-, DL-
1H-Pyrrolo[2,3-b]pyridine-3-propanoic acid, α-amino-, (±)-
α-Amino-1H-pyrrolo[2,3-b]pyridine-3-propanoic acid
1H-Pyrrolo[2,3-b]pyridine-3-alanine
NSC 19495
Azatryptophan
DL-Azatryptophan
7-Aza-DL-tryptophan
7-Azatryptophan
Aza-T
DL-7-Azatryptophan
2-Azaniumyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoate
2-Amino-3-[1H-pyrrolo[2,3-b]pyridin-3-yl]propanoic acid
Identifiers:
SMILES:
NC(Cc1c[nH]c2ncccc12)C(=O)O
InChI:
InChI=1S/C10H11N3O2/c11-8(10(14)15)4-6-5-13-9-7(6)2-1-3-12-9/h1-3,5,8H,4,11H2,(H,12,13)(H,14,15)
Key Properties
Melting Point
257-259 °C (decomp) @ Solvent: Water, Acetone
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 | 205.22 g/mol | CAS Common Chemistry |
| 205.21699999999998 g/mol | RDKit | |
| 205.085126592 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C(N)CC1=CNC=2N=CC=CC21 | CAS Common Chemistry |
| InChI | InChI=1S/C10H11N3O2/c11-8(10(14)15)4-6-5-13-9-7(6)2-1-3-12-9/h1-3,5,8H,4,11H2,(H,12,13)(H,14,15) | CAS Common Chemistry |
| InChI Key | InChIKey=SNLOIIPRZGMRAB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 257-259 °C (decomp) @ Solvent: Water, Acetone | CAS Common Chemistry |
| Name | α-Amino-1H-pyrrolo[2,3-b]pyridine-3-propanoic acid | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 92.00000000000001 Ų | RDKit |
| LogP | 0.5172999999999999 | RDKit |
| Molar Refractivity | 55.40890000000001 | RDKit |
