5-(4-(tert-Butoxycarbonyl)piperazin-1-yl)picolinic acid
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CAS Number 1354355-86-4
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Catalog Number io-406894
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Molecular Weight 307.3400
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SMILES
| Size | QTY | Notes | |
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| 1 | 5-(4-(tert-Butoxycarbonyl)piperazin-1-yl)picolinic acid |
| 2 | 5-{4-[(tert-butoxy)carbonyl]piperazin-1-yl}pyridine-2-carboxylic acid |
| 3 | MFCD21364650 |
| 4 | 5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylic acid |
| 5 | SCHEMBL14802434 |
| Molecular Formula | C15H21N3O4 |
|---|---|
| Canonical SMILES | |
| Isomeric SMILES | |
| Molecular Weight | 307.3400 |
| InChIKey | OGXKNNCKUUAGLT-UHFFFAOYSA-N |
| InChI | InChI=1S/C15H21N3O4/c1-15(2,3)22-14(21)18-8-6-17(7-9-18)11-4-5-12(13(19)20)16-10-11/h4-5,10H,6-9H2,1-3H3,(H,19,20) |
| XLogP | 1.5000 |
| ExactMass | 307.1532 |
| MonoisotopicMass | 307.1532 |
| TPSA | 83.0000 |
| Complexity | 414.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 1 |
| HBondAcceptorCount | 6 |
| RotatableBondCount | 4 |
| HeavyAtomCount | 22 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 74 |
| PatentFamilyCount | 17 |
| LiteratureCount | 0 |
