| CAS Number | 133171-74-1 |
| Catalog Number | AG00HSSU(AGN-PC-0PJY9V) |
| Chemical Name | Methyl 4-((tert-butoxycarbonyl)(methyl)amino)butanoate |
| IUPAC Name | methyl 4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate |
| InChI | InChI=1S/C11H21NO4/c1-11(2,3)16-10(14)12(4)8-6-7-9(13)15-5/h6-8H2,1-5H3 |
| InChI Key | OPTWPGHKZJJUPS-UHFFFAOYSA-N |
| MDL Number | MFCD14635755 |
| Molecular Formula | C11H21NO4 |
| Molecular Weight | 231.2887 |
| SMILES | C(C)(C)(C)OC(=O)N(CCCC(=O)OC)C |
| Synonyms | 133171-74-1,
tert-Butyl 3-(methoxycarbonyl) propylmethylcarbamate,
Methyl 4-(tert-butoxycarbonyl(methyl)amino)butanoate,
Methyl 4-((tert-butoxycarbonyl)(methyl)amino)butanoate,
methyl 4-{[(tert-butoxy)carbonyl](methyl)amino}butanoate,
SCHEMBL2020494,
OPTWPGHKZJJUPS-UHFFFAOYSA-N,
MFCD14635755,
ZINC39170536,
AKOS010864952,
MCULE-7281446330,
NE58054,
Z902591658,
4-[Methyl(tert-butoxycarbonyl)amino]butyric acid methyl ester,
Butanoic acid, 4-[[(1,1-dimethylethoxy)carbonyl]methylamino]-, methylester,
CID10681033,
Methyl 4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate,
|
| Complexity | 245 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.292g/mol |
| Monoisotopic Mass | 231.147g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number