| CAS Number | 1341037-48-6 |
| Catalog Number | AG00HT71(AGN-PC-0WG3U5) |
| Chemical Name | 1-(tert-Butoxycarbonyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid |
| IUPAC Name | 1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydropyrrolo[2,3-b]pyridine-5-carboxylic acid |
| InChI | InChI=1S/C13H16N2O4/c1-13(2,3)19-12(18)15-5-4-8-6-9(11(16)17)7-14-10(8)15/h6-7H,4-5H2,1-3H3,(H,16,17) |
| InChI Key | VMWJNFYEPYTLDZ-UHFFFAOYSA-N |
| MDL Number | MFCD21362318 |
| Molecular Formula | C13H16N2O4 |
| Molecular Weight | 264.2771 |
| SMILES | C(C)(C)(C)OC(=O)N1CCC=2C1=NC=C(C2)C(=O)O |
| Synonyms | 1341037-48-6,
1-[(tert-Butoxy)carbonyl]-1H,2H,3H-pyrrolo[2,3-b]pyridine-5-carboxylic acid,
1-(tert-Butoxycarbonyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid,
MFCD21362318,
ZINC91303784,
AKOS027251431,
AM805397,
CS-0038066,
1-(TERT-BUTOXYCARBONYL)INDOLINE-5-CARBOXYLIC ACID,
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| Complexity | 377 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.281g/mol |
| Monoisotopic Mass | 264.111g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 79.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
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