84023-58-5
Product Name:
(αS)-α-[[(1S)-1-Carboxyethyl]amino]benzenebutanoic Acid
Formula:
C13H17NO4
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COMPUTED DESCRIPTORS
| Molecular Weight | 251.28 g/mol |
|---|---|
| XLogP3 | -0.5 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 7 |
| Exact Mass | 251.11575802 g/mol |
| Monoisotopic Mass | 251.11575802 g/mol |
| Topological Polar Surface Area | 86.6 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 287 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |