| CAS Number | 92799-09-2 |
| Catalog Number | AG019P3G(AGN-PC-0KX9VQ) |
| Chemical Name | 4-(2-furoylamino)butanoic acid |
| IUPAC Name | 4-(furan-2-carbonylamino)butanoic acid |
| InChI | InChI=1S/C9H11NO4/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 | HDSNAIVHZRIVLI-UHFFFAOYSA-N |
| MDL Number | MFCD00466495 |
| Molecular Formula | C9H11NO4 |
| Molecular Weight | 197.1879 |
| SMILES | OC(CCCNC(C1OC=CC=1)=O)=O |
| Synonyms | 4-(2-furoylamino)butanoic acid,
4-(furan-2-ylformamido)butanoic acid,
CBDivE_002344,
AC1MTTNE,
4-[(furan-2-ylcarbonyl)amino]butanoic acid,
AC1Q75HY,
CTK7J3719,
ZINC2495684,
STK386801,
4-(2-furylcarbonylamino)butanoic acid,
AKOS000263928,
MCULE-5985479726,
NE46708,
4-(furan-2-carbonylamino)butanoic acid,
92799-09-2,
gamma-[(2-Furylcarbonyl)amino]butyric acid,
ST50885585,
EN300-18565,
CID3607667,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.19g/mol |
| Monoisotopic Mass | 197.069g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 79.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number