| CAS Number | 951912-07-5 |
| Catalog Number | AG01AH2M(AGN-PC-0WODHR) |
| Chemical Name | 3-[(2-Acetamidoethyl)carbamoyl]propanoic acid |
| IUPAC Name | 4-(2-acetamidoethylamino)-4-oxobutanoic acid |
| InChI | InChI=1S/C8H14N2O4/c1-6(11)9-4-5-10-7(12)2-3-8(13)14/h2-5H2,1H3,(H,9,11)(H,10,12)(H,13,14) |
| InChI Key | PMMKDTVDMLMIAB-UHFFFAOYSA-N |
| MDL Number | MFCD09907015 |
| Molecular Formula | C8H14N2O4 |
| Molecular Weight | 202.2078 |
| SMILES | CC(NCCNC(CCC(O)=O)=O)=O |
| Synonyms | 3-[(2-acetamidoethyl)carbamoyl]propanoic acid,
951912-07-5,
AC1Q1L6S,
SCHEMBL18250681,
ZINC11949009,
AKOS008075127,
MCULE-1907047610,
NE20648,
EN300-73507,
F1782-0606,
Z1259335899,
|
| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.21g/mol |
| Monoisotopic Mass | 202.095g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 95.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number