| CAS Number | 462599-69-5 |
| Catalog Number | AG019QE8(AGN-PC-0WOR5D) |
| Chemical Name | (2S)-2-[(furan-2-yl)formamido]propanoic acid |
| IUPAC Name | (2S)-2-(furan-2-carbonylamino)propanoic acid |
| InChI | InChI=1S/C8H9NO4/c1-5(8(11)12)9-7(10)6-3-2-4-13-6/h2-5H,1H3,(H,9,10)(H,11,12)/t5-/m0/s1 |
| InChI Key | VNYWJRJEGHPIQW-YFKPBYRVSA-N |
| MDL Number | MFCD09088787 |
| Molecular Formula | C8H9NO4 |
| Molecular Weight | 183.1614 |
| SMILES | C[C@@H](C(O)=O)NC(C1OC=CC=1)=O |
| Synonyms | N-(2-FUROYL)ALANINE,
(2S)-2-(2-furoylamino)propanoic acid,
(2S)-2-(furan-2-ylformamido)propanoic acid,
462599-69-5,
Furoylalanin,
AC1LGDGK,
AC1Q29K9,
CTK7I3131,
ZINC294718,
AKOS001065072,
AKOS015855698,
MCULE-2530205031,
EN300-87524,
(2S)-2-(furan-2-carbonylamino)propanoic acid,
1001616-79-0,
|
| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.163g/mol |
| Monoisotopic Mass | 183.053g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 79.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number