| CAS Number | 161785-91-7 |
| Catalog Number | AG01BD24 |
| Chemical Name | 3-[(3-methoxypropyl)carbamoyl]propanoic acid |
| IUPAC Name | 4-(3-methoxypropylamino)-4-oxobutanoic acid |
| InChI | InChI=1S/C8H15NO4/c1-13-6-2-5-9-7(10)3-4-8(11)12/h2-6H2,1H3,(H,9,10)(H,11,12) |
| InChI Key | UXOIXUFGPJNQNR-UHFFFAOYSA-N |
| MDL Number | MFCD08165266 |
| Molecular Formula | C8H15NO4 |
| Molecular Weight | 189.2090 |
| SMILES | COCCCNC(CCC(O)=O)=O |
| Synonyms | 3-[(3-methoxypropyl)carbamoyl]propanoic acid,
161785-91-7,
AC1PLOZO,
SCHEMBL19370866,
ZINC8025069,
AKOS002675085,
MCULE-2235611201,
NE13772,
4-(3-methoxypropylamino)-4-oxobutanoic acid,
Z90425256,
CID9154966,
3-(3-methoxypropylcarbamoyl)propanoic Acid,
|
| Complexity | 170 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.211g/mol |
| Monoisotopic Mass | 189.1g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number