| CAS Number | 590376-36-6 |
| Catalog Number | AG019JOS |
| Chemical Name | 3-[(3-carbamoylthiophen-2-yl)carbamoyl]propanoic acid |
| IUPAC Name | 4-[(3-carbamoylthiophen-2-yl)amino]-4-oxobutanoic acid |
| InChI | InChI=1S/C9H10N2O4S/c10-8(15)5-3-4-16-9(5)11-6(12)1-2-7(13)14/h3-4H,1-2H2,(H2,10,15)(H,11,12)(H,13,14) |
| InChI Key | AKDRFBNTQZATID-UHFFFAOYSA-N |
| MDL Number | MFCD03946372 |
| Molecular Formula | C9H10N2O4S |
| Molecular Weight | 242.2517 |
| SMILES | NC(C1=C(NC(CCC(O)=O)=O)SC=C1)=O |
| Synonyms | 3-[(3-carbamoylthiophen-2-yl)carbamoyl]propanoic Acid,
590376-36-6,
4-{[3-(aminocarbonyl)thien-2-yl]amino}-4-oxobutanoic acid,
4-[(3-carbamoylthiophen-2-yl)amino]-4-oxobutanoic acid,
3-[N-(3-carbamoyl-2-thienyl)carbamoyl]propanoic acid,
AC1M2NBT,
AC1Q4Z7S,
SCHEMBL20339493,
CTK7J2784,
ZINC2656567,
SBB078145,
STK441224,
AKOS001072843,
MCULE-9748297696,
NE45289,
ST50834188,
EN300-10004,
SR-01000053488,
SR-01000053488-1,
Z56989648,
CID2120287,
|
| Complexity | 308 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.249g/mol |
| Monoisotopic Mass | 242.036g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 138A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number