| CAS Number | 131545-52-3 |
| Catalog Number | AG01BI4M |
| Chemical Name | Methyl 3-([2-(tert-butoxy)-2-oxoethyl]amino)propanoate |
| IUPAC Name | methyl 3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate |
| InChI | InChI=1S/C10H19NO4/c1-10(2,3)15-9(13)7-11-6-5-8(12)14-4/h11H,5-7H2,1-4H3 |
| InChI Key | PWUQRVBCAROKBZ-UHFFFAOYSA-N |
| MDL Number | MFCD12797747 |
| Molecular Formula | C10H19NO4 |
| Molecular Weight | 217.2622 |
| SMILES | COC(CCNCC(OC(C)(C)C)=O)=O |
| Synonyms | Methyl 3-((2-(tert-butoxy)-2-oxoethyl)amino)propanoate,
131545-52-3,
Methyl 3-([2-(tert-butoxy)-2-oxoethyl]amino)propanoate,
SCHEMBL5884644,
PWUQRVBCAROKBZ-UHFFFAOYSA-N,
ZINC37488579,
AKOS009050823,
3-(tert-butoxycarbonylmethyl-amino)-propionic acid methyl ester,
119740-95-3,
|
| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.265g/mol |
| Monoisotopic Mass | 217.131g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 64.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
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Certificate of Analysis
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