| CAS Number | 158213-81-1 |
| Catalog Number | AG01ABGH(AGN-PC-0Q7FY0) |
| Chemical Name | 3-[(Methoxycarbonyl)amino]propanoic acid |
| IUPAC Name | 3-(methoxycarbonylamino)propanoic acid |
| InChI | InChI=1S/C5H9NO4/c1-10-5(9)6-3-2-4(7)8/h2-3H2,1H3,(H,6,9)(H,7,8) |
| InChI Key | IMMVCLVAEGHEIC-UHFFFAOYSA-N |
| MDL Number | MFCD09962325 |
| Molecular Formula | C5H9NO4 |
| Molecular Weight | 147.1293 |
| SMILES | COC(NCCC(O)=O)=O |
| Synonyms | 3-[(methoxycarbonyl)amino]propanoic acid,
158213-81-1,
3-methoxycarbonylaminopropanoic acid,
AC1Q44DZ,
SCHEMBL205904,
N-(methoxycarbonyl)-beta-alanine,
STK330719,
ZINC18193752,
AKOS000203991,
MCULE-2819384794,
NE36680,
EN300-71558,
|
| Complexity | 134 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 147.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 147.13g/mol |
| Monoisotopic Mass | 147.053g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.6 |
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Certificate of Analysis
Lot Number