| CAS Number | 90007-59-3 |
| Catalog Number | AG019KBT |
| Chemical Name | 3-(Carbamoylamino)-3-(thiophen-2-yl)propanoic acid |
| IUPAC Name | 3-(carbamoylamino)-3-thiophen-2-ylpropanoic acid |
| InChI | InChI=1S/C8H10N2O3S/c9-8(13)10-5(4-7(11)12)6-2-1-3-14-6/h1-3,5H,4H2,(H,11,12)(H3,9,10,13) |
| InChI Key | PGIQJSFYODPBMU-UHFFFAOYSA-N |
| MDL Number | MFCD09971332 |
| Molecular Formula | C8H10N2O3S |
| Molecular Weight | 214.2416 |
| SMILES | NC(NC(C1SC=CC=1)CC(O)=O)=O |
| Synonyms | 3-(carbamoylamino)-3-(thiophen-2-yl)propanoic acid,
3-[(aminocarbonyl)amino]-3-thien-2-ylpropanoic acid,
90007-59-3,
EN300-26320,
AC1Q4ZUK,
CTK7J1840,
AKOS008083536,
MCULE-3975765010,
NE28451,
|
| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.239g/mol |
| Monoisotopic Mass | 214.041g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 121A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number