| CAS Number | 479630-02-9 |
| Catalog Number | AG00DGD5(AGN-PC-0RXRH5) |
| Chemical Name | Tert-butyl 4-(3-methoxy-3-oxopropanoyl)piperidine-1-carboxylate |
| IUPAC Name | tert-butyl 4-(3-methoxy-3-oxopropanoyl)piperidine-1-carboxylate |
| InChI | InChI=1S/C14H23NO5/c1-14(2,3)20-13(18)15-7-5-10(6-8-15)11(16)9-12(17)19-4/h10H,5-9H2,1-4H3 |
| InChI Key | WMAWVWUIHBXMPQ-UHFFFAOYSA-N |
| MDL Number | MFCD11974569 |
| Molecular Formula | C14H23NO5 |
| Molecular Weight | 285.3361 |
| SMILES | COC(CC(C1CCN(C(OC(C)(C)C)=O)CC1)=O)=O |
| Synonyms | 479630-02-9,
1-Boc-beta-oxo-4-piperidinepropanoic acid methyl ester,
tert-butyl 4-(3-methoxy-3-oxopropanoyl)piperidine-1-carboxylate,
SCHEMBL9938875,
DTXSID90463847,
ZINC71256120,
AKOS027343030,
AC-28352,
ACM479630029,
AM100870,
DB-083271,
FT-0724031,
Methyl 1-Boc-beta-oxo-4-piperidinepropanoate,
CID11369649,
Tert-butyl 4-(2-methoxycarbonylacetyl)piperidine-1-carboxylate,
|
| Complexity | 378 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 285.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 285.34g/mol |
| Monoisotopic Mass | 285.158g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 72.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number