| CAS Number | 1152498-18-4 |
| Catalog Number | AG01BTZR |
| Chemical Name | 4-[(ethoxycarbonyl)(methyl)amino]butanoic acid |
| IUPAC Name | 4-[ethoxycarbonyl(methyl)amino]butanoic acid |
| InChI | InChI=1S/C8H15NO4/c1-3-13-8(12)9(2)6-4-5-7(10)11/h3-6H2,1-2H3,(H,10,11) |
| InChI Key | DDHVBMNBIVTRMI-UHFFFAOYSA-N |
| MDL Number | MFCD11104051 |
| Molecular Formula | C8H15NO4 |
| Molecular Weight | 189.209 |
| SMILES | CCOC(N(CCCC(O)=O)C)=O |
| Synonyms | 4-[(ethoxycarbonyl)(methyl)amino]butanoic acid,
1152498-18-4,
4-((ethoxycarbonyl)(methyl)amino)butanoic acid,
ZINC34938177,
AKOS008970394,
Z64463247,
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.211g/mol |
| Monoisotopic Mass | 189.1g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number