| CAS Number | 773098-59-2 |
| Catalog Number | AG00JE5K(AGN-PC-0WNLSQ) |
| Chemical Name | 3-(Ethylamino)-3-oxopropanoic acid |
| IUPAC Name | 3-(ethylamino)-3-oxopropanoic acid |
| InChI | InChI=1S/C5H9NO3/c1-2-6-4(7)3-5(8)9/h2-3H2,1H3,(H,6,7)(H,8,9) |
| InChI Key | USHWNTZTUAQDFH-UHFFFAOYSA-N |
| MDL Number | MFCD06208556 |
| Molecular Formula | C5H9NO3 |
| Molecular Weight | 131.1299 |
| SMILES | CCNC(CC(O)=O)=O |
| Synonyms | 3-(ethylamino)-3-oxopropanoic acid,
773098-59-2,
2-(ethylcarbamoyl)acetic acid,
Ethyl-malonsaeure-monoamid,
SCHEMBL7784191,
ALBB-021454,
BBL022549,
MFCD06208556,
STL261774,
ZINC20205189,
AKOS011514722,
MCULE-6073095545,
propanoic acid, 3-(ethylamino)-3-oxo-,
R9111,
4431-55-4,
|
| Complexity | 121 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 131.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 131.131g/mol |
| Monoisotopic Mass | 131.058g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number