| CAS Number | 1260649-54-4 |
| Catalog Number | AG000QYF(AGN-PC-09RMYG) |
| Chemical Name | (5-{[(tert-butoxy)carbonyl]amino}pyridin-2-yl)acetic acid |
| IUPAC Name | 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-2-yl]acetic acid |
| InChI | InChI=1S/C12H16N2O4/c1-12(2,3)18-11(17)14-9-5-4-8(13-7-9)6-10(15)16/h4-5,7H,6H2,1-3H3,(H,14,17)(H,15,16) |
| InChI Key | FPERASUDPDOSIT-UHFFFAOYSA-N |
| MDL Number | MFCD11848323 |
| Molecular Formula | C12H16N2O4 |
| Molecular Weight | 252.2664 |
| SMILES | CC(OC(NC1=CN=C(CC(O)=O)C=C1)=O)(C)C |
| Synonyms | 1260649-54-4,
SCHEMBL4373897,
ZINC98210073,
SC-30578,
(5-{[(tert-butoxy)carbonyl]amino}pyridin-2-yl)acetic acid,
2-(5-{[(tert-butoxy)carbonyl]amino}pyridin-2-yl)acetic acid,
2-Pyridineacetic acid, 5-[[(1,1-dimethylethoxy)carbonyl]amino]-,
(5-tert-Butoxycarbonylamino-pyridin-2-yl)-acetic a,
(5-TERT-BUTOXYCARBONYLAMINO-PYRIDIN-2-YL)-ACETIC ACID,
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| Complexity | 312 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.27g/mol |
| Monoisotopic Mass | 252.111g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 88.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
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