| CAS Number | 926266-94-6 |
| Catalog Number | AG019LJR |
| Chemical Name | 5-[(Cyclopentylcarbonyl)amino]-3-methylthiophene-2-carboxylic acid |
| IUPAC Name | 5-(cyclopentanecarbonylamino)-3-methylthiophene-2-carboxylic acid |
| InChI | InChI=1S/C12H15NO3S/c1-7-6-9(17-10(7)12(15)16)13-11(14)8-4-2-3-5-8/h6,8H,2-5H2,1H3,(H,13,14)(H,15,16) |
| InChI Key | QNUWVMIRXLWJHM-UHFFFAOYSA-N |
| MDL Number | MFCD09044361 |
| Molecular Formula | C12H15NO3S |
| Molecular Weight | 253.3174 |
| SMILES | CC1=C(C(O)=O)SC(NC(C2CCCC2)=O)=C1 |
| Synonyms | 5-cyclopentaneamido-3-methylthiophene-2-carboxylic acid,
926266-94-6,
5-[(cyclopentylcarbonyl)amino]-3-methylthiophene-2-carboxylic acid,
AC1Q2GGS,
SCHEMBL3328715,
CTK7F7969,
5-(cyclopentanecarbonyl-amino)-3-methyl-thiophene-2-carboxylic acid,
ZINC20282309,
AKOS000128113,
MCULE-3731300315,
NE57157,
EN300-31498,
Z425387654,
|
| Complexity | 315 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.316g/mol |
| Monoisotopic Mass | 253.077g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 94.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number