| CAS Number | 948015-63-2 |
| Catalog Number | AG00IIJS(AGN-PC-0WCXYC) |
| Chemical Name | 6-((tert-Butoxycarbonyl)amino)-1H-indole-4-carboxylic acid |
| IUPAC Name | 6-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-indole-4-carboxylic acid |
| InChI | InChI=1S/C14H16N2O4/c1-14(2,3)20-13(19)16-8-6-10(12(17)18)9-4-5-15-11(9)7-8/h4-7,15H,1-3H3,(H,16,19)(H,17,18) |
| InChI Key | LXZJJEUIQUAFCF-UHFFFAOYSA-N |
| MDL Number | MFCD09800410 |
| Molecular Formula | C14H16N2O4 |
| Molecular Weight | 276.2878 |
| SMILES | C(C)(C)(C)OC(=O)NC=1C=C(C=2C=CNC2C1)C(=O)O |
| Synonyms | 6-N-Boc-Aminoindole-4-carboxylic acid,
948015-63-2,
6-((tert-Butoxycarbonyl)amino)-1H-indole-4-carboxylic acid,
SCHEMBL2922263,
ACT10675,
MFCD09800410,
ZINC16697221,
FCH1626966,
AS-37009,
AX8266737,
X-1635,
6-(tert-butoxycarbonylamino)-1h-indole-4-carboxylic acid,
6-tert-Butoxycarbonylamino-1H-indole-4-carboxylic acid,
1h-indole-4-carboxylic acid,6-[[(1,1-dimethylethoxy)carbonyl]amino]-,
6-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-indole-4-carboxylic acid,
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| Complexity | 391 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.292g/mol |
| Monoisotopic Mass | 276.111g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 91.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
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