| CAS Number | 1516949-42-0 |
| Catalog Number | AG01AGXB |
| Chemical Name | 2-(Tetrahydro-2H-pyran-4-carboxamido)propanoic acid |
| IUPAC Name | 2-(oxane-4-carbonylamino)propanoic acid |
| InChI | InChI=1S/C9H15NO4/c1-6(9(12)13)10-8(11)7-2-4-14-5-3-7/h6-7H,2-5H2,1H3,(H,10,11)(H,12,13) |
| InChI Key | DLEPCBYYGUHQCP-UHFFFAOYSA-N |
| MDL Number | MFCD11170037 |
| Molecular Formula | C9H15NO4 |
| Molecular Weight | 201.2197 |
| SMILES | CC(C(O)=O)NC(C1CCOCC1)=O |
| Synonyms | 2-(oxan-4-ylformamido)propanoic acid,
1516949-42-0,
2-(Tetrahydro-2H-pyran-4-carboxamido)propanoic acid,
AC1Q2BI8,
1309036-06-3,
AKOS008113529,
MCULE-1192145327,
NE59270,
2-[(oxan-4-yl)formamido]propanoic acid,
NCGC00323751-01,
EN300-73102,
AB01318497-02,
Z1165167999,
2-(oxane-4-carbonylamino)propanoic acid,
N-(TETRAHYDRO-2H-PYRAN-4-YLCARBONYL)ALANINE,
|
| Complexity | 223 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.222g/mol |
| Monoisotopic Mass | 201.1g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number