| CAS Number | 392716-17-5 |
| Catalog Number | AG019P3H |
| Chemical Name | 4-[(Thien-2-ylcarbonyl)amino]butanoic acid |
| IUPAC Name | 4-(thiophene-2-carbonylamino)butanoic acid |
| InChI | InChI=1S/C9H11NO3S/c11-8(12)4-1-5-10-9(13)7-3-2-6-14-7/h2-3,6H,1,4-5H2,(H,10,13)(H,11,12) |
| InChI Key | GHINVXYOLGVLER-UHFFFAOYSA-N |
| MDL Number | MFCD01100859 |
| Molecular Formula | C9H11NO3S |
| Molecular Weight | 213.2535 |
| SMILES | OC(CCCNC(C1SC=CC=1)=O)=O |
| Synonyms | 4-(thiophen-2-ylformamido)butanoic acid,
4-[(thien-2-ylcarbonyl)amino]butanoic acid,
392716-17-5,
4-[(Thiophene-2-carbonyl)-amino]-butyric acid,
BAS 04213356,
AC1MK4MO,
AC1Q75HZ,
SCHEMBL8144689,
CTK7J3720,
ZINC2489423,
AKOS000125716,
CCG-118477,
MCULE-4648445045,
NE49868,
4-(2-thienylcarbonylamino)butanoic acid,
4-(thiophene-2-carbonylamino)butanoic acid,
4-[(thiophen-2-yl)formamido]butanoic acid,
ST50018982,
EN300-18567,
Z85888892,
CID3149370,
|
| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.251g/mol |
| Monoisotopic Mass | 213.046g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 94.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number