| CAS Number | 105518-47-6 |
| Catalog Number | AG019EO4(AGN-PC-0OUU24) |
| Chemical Name | 6-Carbamoyl-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carboxylic acid |
| IUPAC Name | 6-carbamoyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylic acid |
| InChI | InChI=1S/C12H11N3O3/c13-12(18)15-4-3-6-7-5-9(11(16)17)14-8(7)1-2-10(6)15/h1-2,5,14H,3-4H2,(H2,13,18)(H,16,17) |
| InChI Key | SYEVWAVDQJTJMV-UHFFFAOYSA-N |
| MDL Number | MFCD30185067 |
| Molecular Formula | C12H11N3O3 |
| Molecular Weight | 245.2340 |
| SMILES | NC(=O)N1CCc2c1ccc3[nH]c(cc23)C(=O)O |
| Synonyms | 105518-47-6,
6-Carbamoyl-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carboxylic acid,
6-carbamoyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylic acid,
SCHEMBL887712,
SYEVWAVDQJTJMV-UHFFFAOYSA-N,
AKOS022662733,
CS-0037245,
3-carbamoyl-1,2-dihydro-3H-pyrrolo[3,2-e]indole-7-carboxylic acid,
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| Complexity | 387 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.238g/mol |
| Monoisotopic Mass | 245.08g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 99.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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Certificate of Analysis
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