| CAS Number | 182001-76-9 |
| Catalog Number | AG01EHE4(AGN-PC-0QC4U9) |
| Chemical Name | 3-{[(Benzyloxy)carbonyl](2-carboxyethyl)amino}propanoic acid |
| IUPAC Name | 3-[2-carboxyethyl(phenylmethoxycarbonyl)amino]propanoic acid |
| InChI | InChI=1S/C14H17NO6/c16-12(17)6-8-15(9-7-13(18)19)14(20)21-10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,16,17)(H,18,19) |
| InChI Key | BQTRRUDIWGZIBX-UHFFFAOYSA-N |
| MDL Number | MFCD31726517 |
| Molecular Formula | C14H17NO6 |
| Molecular Weight | 295.2879 |
| SMILES | O=C(N(CCC(=O)O)CCC(=O)O)OCc1ccccc1 |
| Synonyms | 3-{[(Benzyloxy)carbonyl](2-carboxyethyl)amino}propanoic acid,
182001-76-9,
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| Complexity | 347 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 295.105587g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 295.29g/mol |
| Monoisotopic Mass | 295.105587g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 104Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
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