| CAS Number | 159911-75-8 |
| Catalog Number | AG01DLUV |
| Chemical Name | methyl 2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoate |
| IUPAC Name | methyl 2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoate |
| InChI | InChI=1S/C11H13N3O2/c1-16-11(15)9(12)5-7-6-14-10-8(7)3-2-4-13-10/h2-4,6,9H,5,12H2,1H3,(H,13,14) |
| InChI Key | FGLIVUIACOOOGS-UHFFFAOYSA-N |
| MDL Number | MFCD21609348 |
| Molecular Formula | C11H13N3O2 |
| Molecular Weight | 219.2398 |
| SMILES | NC(C(=O)OC)CC1=CNC2=NC=CC=C21 |
| Synonyms | methyl 2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoate,
159911-75-8,
(R)-Methyl 2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoate,
(S)-Methyl 2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoate,
SCHEMBL3935332,
MFCD21609348,
AKOS015761293,
AS-48584,
N/A,
|
| Complexity | 260 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.244g/mol |
| Monoisotopic Mass | 219.101g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 81A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number