CAS
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Specification
The molecular formula is C9H17NO4.
The computed molecular weight is 203.24 g/mol.
The IUPAC name is (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid.
The InChIKey is PYNDHEONPQYIAN-ZCFIWIBFSA-N.
The Canonical SMILES is CC(CC(=O)O)NC(=O)OC(C)(C)C.
It has 2 hydrogen bond donor counts.
The topological polar surface area is 75.6Ų.
It has 5 rotatable bond counts.
Yes, the compound is canonicalized.
It was last modified on November 25, 2023.