| CAS Number | 171817-97-3 |
| Catalog Number | AG019UTE |
| Chemical Name | 3-[(1H-indol-3-yl)formamido]propanoic acid |
| IUPAC Name | 3-(1H-indole-3-carbonylamino)propanoic acid |
| InChI | InChI=1S/C12H12N2O3/c15-11(16)5-6-13-12(17)9-7-14-10-4-2-1-3-8(9)10/h1-4,7,14H,5-6H2,(H,13,17)(H,15,16) |
| InChI Key | UBZAIAYIGPMTIS-UHFFFAOYSA-N |
| MDL Number | MFCD09942044 |
| Molecular Formula | C12H12N2O3 |
| Molecular Weight | 232.2353 |
| SMILES | OC(CCNC(C1C2=C(C=CC=C2)NC=1)=O)=O |
| Synonyms | 3-(1H-indol-3-ylformamido)propanoic acid,
171817-97-3,
AC1Q75N3,
CTK7J4268,
ZINC19487016,
AKOS000187883,
MCULE-4752942653,
NE51347,
EN300-42747,
|
| Complexity | 306 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.239g/mol |
| Monoisotopic Mass | 232.085g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 82.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number