| CAS Number | 160938-85-2 |
| Catalog Number | AG00BBJ3(AGN-PC-0Q7ZG6) |
| Chemical Name | 5-(([(tert-Butoxy)carbonyl]amino)methyl)furan-2-carboxylic acid |
| IUPAC Name | 5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]furan-2-carboxylic acid |
| InChI | InChI=1S/C11H15NO5/c1-11(2,3)17-10(15)12-6-7-4-5-8(16-7)9(13)14/h4-5H,6H2,1-3H3,(H,12,15)(H,13,14) |
| InChI Key | UOXKOXPQCRDDHV-UHFFFAOYSA-N |
| MDL Number | MFCD06657486 |
| Molecular Formula | C11H15NO5 |
| Molecular Weight | 241.2405 |
| SMILES | CC(C)(OC(=O)NCC1=CC=C(O1)C(=O)O)C |
| Synonyms | 160938-85-2,
5-{[(tert-butoxycarbonyl)amino]methyl}-2-furoic acid,
5-({[(tert-butoxy)carbonyl]amino}methyl)furan-2-carboxylic acid,
5-(((tert-Butoxycarbonyl)amino)methyl)furan-2-carboxylic acid,
5-(([(tert-Butoxy)carbonyl]amino)methyl)furan-2-carboxylic acid,
SCHEMBL5061036,
ALBB-027649,
MFCD06657486,
ZINC71790269,
AKOS017522521,
MCULE-4862307383,
DA-09675,
FT-0707379,
R9266,
EN300-86466,
Z1272096629,
5-((tert-butoxycarbonyl)aminomethyl)furan-2-carboxylic acid,
5-(TERT-BUTOXYCARBONYLAMINO-METHYL)-FURAN-2-CARBOXYLIC ACID,
2-furancarboxylic acid, 5-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-,
|
| Complexity | 297 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.243g/mol |
| Monoisotopic Mass | 241.095g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 88.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number