| CAS Number | 1313033-25-8 |
| Catalog Number | AG01DYND |
| Chemical Name | 2-{[(benzyloxy)carbonyl]amino}-2-(oxolan-3-yl)acetic acid |
| IUPAC Name | 2-(oxolan-3-yl)-2-(phenylmethoxycarbonylamino)acetic acid |
| InChI | InChI=1S/C14H17NO5/c16-13(17)12(11-6-7-19-9-11)15-14(18)20-8-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H,15,18)(H,16,17) |
| InChI Key | VRXVLJWCEOTUPH-UHFFFAOYSA-N |
| MDL Number | MFCD09756694 |
| Molecular Formula | C14H17NO5 |
| Molecular Weight | 279.2885 |
| SMILES | OC(C(C1COCC1)NC(OCC1=CC=CC=C1)=O)=O |
| Synonyms | 2-(((benzyloxy)carbonyl)amino)-2-(tetrahydrofuran-3-yl)acetic acid,
1313033-25-8,
AKOS013464244,
2-{[(benzyloxy)carbonyl]amino}-2-(oxolan-3-yl)acetic acid,
{[(benzyloxy)carbonyl]amino}(tetrahydrofuran-3-yl)acetic acid,
|
| Complexity | 341 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.292g/mol |
| Monoisotopic Mass | 279.111g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 84.9A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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