| CAS Number | 882847-09-8 |
| Catalog Number | AG008AHT(AGN-PC-0KKKS7) |
| Chemical Name | Boc-3-amino-1-carboxymethyl-pyridin-2-one |
| IUPAC Name | 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyridin-1-yl]acetic acid |
| InChI | InChI=1S/C12H16N2O5/c1-12(2,3)19-11(18)13-8-5-4-6-14(10(8)17)7-9(15)16/h4-6H,7H2,1-3H3,(H,13,18)(H,15,16) |
| InChI Key | QPLUGXUIIHOKBV-UHFFFAOYSA-N |
| MDL Number | MFCD06656433 |
| Molecular Formula | C12H16N2O5 |
| Molecular Weight | 268.2658 |
| SMILES | CC(OC(NC1C(=O)N(CC(O)=O)C=CC=1)=O)(C)C |
| Synonyms | Boc-3-amino-1-carboxymethyl-pyridin-2-one,
882847-09-8,
1(2H)-Pyridineaceticacid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-oxo-,
AC1MBSI4,
CTK3E6705,
DTXSID80373168,
6243AH,
MFCD06656433,
ZINC33369270,
AKOS025404050,
RT-011692,
A-8391,
{3-[(tert-Butoxycarbonyl)amino]-2-oxopyridin-1(2H)-yl}acetic acid,
2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyridin-1-yl]acetic acid,
C12H16N2O5,
CID2755970,
2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyridin-1-,
2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-pyridin-1-yl]acetic Acid,
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| Complexity | 459 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.269g/mol |
| Monoisotopic Mass | 268.106g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 95.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
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Certificate of Analysis
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