| CAS Number | 1241681-87-7 |
| Catalog Number | AG01ER79(AGN-PC-3H47D9) |
| Chemical Name | (2S)-2-{[(tert-butoxy)carbonyl]amino}-3-(6-hydroxypyridin-3-yl)propanoic acid |
| IUPAC Name | (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(6-oxo-1H-pyridin-3-yl)propanoic acid |
| InChI | InChI=1S/C13H18N2O5/c1-13(2,3)20-12(19)15-9(11(17)18)6-8-4-5-10(16)14-7-8/h4-5,7,9H,6H2,1-3H3,(H,14,16)(H,15,19)(H,17,18)/t9-/m0/s1 |
| InChI Key | OGAQTPLFVQFAJL-VIFPVBQESA-N |
| MDL Number | MFCD04973151 |
| Molecular Formula | C13H18N2O5 |
| Molecular Weight | 282.2924 |
| SMILES | CC(OC(N[C@H](C(O)=O)CC1=CN=C(O)C=C1)=O)(C)C |
| Synonyms | 1241681-87-7,
CTK7G8922,
MFCD04973151,
(S)?-?Boc-?2-?Hydroxy-?5-?pyridylalanine,
(S)-N-alpha-t-Butyloxycarbonyl-3-(2-hydroxy-pyridine-5-yl)-alanine,
(S)-2-TERT-BUTOXYCARBONYLAMINO-3-(6-HYDROXY-PYRIDIN-3-YL)-PROPIONIC ACID,
|
| Complexity | 474 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.122g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.296g/mol |
| Monoisotopic Mass | 282.122g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 105A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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Certificate of Analysis
Lot Number