| CAS Number | 957005-56-0 |
| Catalog Number | AG01E94B |
| Chemical Name | 2-[(1H-indol-2-yl)formamido]propanoic acid |
| IUPAC Name | (2S)-2-(1H-indole-2-carbonylamino)propanoic acid |
| InChI | InChI=1S/C12H12N2O3/c1-7(12(16)17)13-11(15)10-6-8-4-2-3-5-9(8)14-10/h2-7,14H,1H3,(H,13,15)(H,16,17)/t7-/m0/s1 |
| InChI Key | GLMNAEZCOPCAGN-ZETCQYMHSA-N |
| MDL Number | MFCD11131663 |
| Molecular Formula | C12H12N2O3 |
| Molecular Weight | 232.2353 |
| SMILES | CC(C(O)=O)NC(C1NC2=C(C=CC=C2)C=1)=O |
| Synonyms | SCHEMBL8670236,
957005-56-0,
ZINC9420925,
STK717288,
AKOS005533957,
MCULE-7577597272,
N-(1H-indol-2-ylcarbonyl)-L-alanine,
(2S)-2-[(1H-indol-2-ylcarbonyl)amino]propanoic acid,
C12H12N2O3,
|
| Complexity | 319 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| 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 | 3 |
| Topological Polar Surface Area | 82.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number