| CAS Number | 57906-55-5 |
| Catalog Number | AG01A5CB(AGN-PC-0WOFG1) |
| Chemical Name | 2-{[(Benzyloxy)carbonyl]amino}-4-methoxybutanoic acid |
| IUPAC Name | 4-methoxy-2-(phenylmethoxycarbonylamino)butanoic acid |
| InChI | InChI=1S/C13H17NO5/c1-18-8-7-11(12(15)16)14-13(17)19-9-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,14,17)(H,15,16) |
| InChI Key | DBKHJKCXWQXWNY-UHFFFAOYSA-N |
| MDL Number | MFCD17083835 |
| Molecular Formula | C13H17NO5 |
| Molecular Weight | 267.2778 |
| SMILES | COCCC(C(O)=O)NC(OCC1=CC=CC=C1)=O |
| Synonyms | 2-{[(benzyloxy)carbonyl]amino}-4-methoxybutanoic acid,
57906-55-5,
AKOS011767678,
NE47055,
F8887-2900,
|
| Complexity | 289 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.281g/mol |
| Monoisotopic Mass | 267.111g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 84.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
Lot Number