| CAS Number | 1432678-21-1 |
| Catalog Number | AG01A4WE(AGN-PC-0WO1PK) |
| Chemical Name | 6-(([(tert-Butoxy)carbonyl]amino)methyl)-2-cyclopropylpyridine-3-carboxylic acid |
| IUPAC Name | 2-cyclopropyl-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyridine-3-carboxylic acid |
| InChI | InChI=1S/C15H20N2O4/c1-15(2,3)21-14(20)16-8-10-6-7-11(13(18)19)12(17-10)9-4-5-9/h6-7,9H,4-5,8H2,1-3H3,(H,16,20)(H,18,19) |
| InChI Key | IDQGJMNWOYQCGQ-UHFFFAOYSA-N |
| MDL Number | MFCD24369156 |
| Molecular Formula | C15H20N2O4 |
| Molecular Weight | 292.3303 |
| SMILES | CC(OC(NCC1=NC(C2CC2)=C(C(O)=O)C=C1)=O)(C)C |
| Synonyms | 6-({[(tert-butoxy)carbonyl]amino}methyl)-2-cyclopropylpyridine-3-carboxylic acid,
1432678-21-1,
ZINC95218296,
AKOS026726642,
MCULE-1766140314,
NE51498,
Z1603826936,
|
| Complexity | 401 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 292.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 292.335g/mol |
| Monoisotopic Mass | 292.142g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 88.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
Lot Number