| CAS Number | 21451-29-6 |
| Catalog Number | AG01AAKS(AGN-PC-0L6HWN) |
| Chemical Name | 3-(ethylcarbamoyl)propanoic Acid |
| IUPAC Name | 4-(ethylamino)-4-oxobutanoic acid |
| InChI | InChI=1S/C6H11NO3/c1-2-7-5(8)3-4-6(9)10/h2-4H2,1H3,(H,7,8)(H,9,10) |
| InChI Key | HVMGZVKGWSZOFR-UHFFFAOYSA-N |
| MDL Number | MFCD01343490 |
| Molecular Formula | C6H11NO3 |
| Molecular Weight | 145.1564 |
| SMILES | CCNC(CCC(O)=O)=O |
| Synonyms | 3-(ethylcarbamoyl)propanoic Acid,
21451-29-6,
4-(ethylamino)-4-oxobutanoic acid,
N-ethylsuccinamic,
N-ethyl-succinamic acid,
AC1Q31BB,
AC1N556W,
SCHEMBL3968787,
HVMGZVKGWSZOFR-UHFFFAOYSA-N,
ZINC5471987,
AKOS002845457,
MCULE-1979773964,
NE51143,
Butanoic acid, 4-(ethylamino)-4-oxo-,
FT-0759479,
EN300-68889,
Z90312637,
CID4166223,
|
| Complexity | 133 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 145.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 145.158g/mol |
| Monoisotopic Mass | 145.074g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number